![CAS 1105194-93-1 Methyl 2-amino-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1105194-93-1.gif)
CAS RN: 1105194-93-1
Methyl 2-amino-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
- Product code: SSC-011572
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1105194-93-1 / methyl 2-amino-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
methyl 2-amino-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate | methyl 2-amino-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate | MFCD11986975
Basic Information
CAS
1105194-93-1
Multi CAS
No
Molecular Formula
C13H20N2O2S
Molecular Weight
268.380000
Exact Mass
268.124549
SMILES
CC1(CC2=C(C(N1)(C)C)SC(=C2C(=O)OC)N)C
InChI
InChI=1S/C13H20N2O2S/c1-12(2)6-7-8(11(16)17-5)10(14)18-9(7)13(3,4)15-12/h15H,6,14H2,1-5H3
InChIKey
HLMCIGUSZNXDKR-UHFFFAOYSA-N
Synonyms
methyl 2-amino-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
methyl 2-amino-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
MFCD11986975
F2182-0052
methyl 2-amino-5,5,7,7-tetramethyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
74.02
TPSA
64.35
LogP / Solubility
WLOGP
2.28
MLOGP
2.01
XLogP3
2.3
Consensus LogP
2.2
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1105196-80-2 1-(2-aminoethyl)-5-[(4-chlorophenyl)methyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1-(2-aminoethyl)-5-[(4-chlorophenyl)methyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
- CAS RN: 1105196-80-2
- Product Code: starshine_CAS1105196-80-2
- Purity/Analytical method: >99.0%
-
1-(2-aminoethyl)-5-(4-methylbenzyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
- CAS RN: 1105196-83-5
- Product Code: starshine_CAS1105196-83-5
- Purity/Analytical method: >99.0%
-
1-(2-aminoethyl)-5-(4-fluorobenzyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
- CAS RN: 1105196-86-8
- Product Code: starshine_CAS1105196-86-8
- Purity/Analytical method: >99.0%
-
1-(2-aminoethyl)-5-(3-fluorobenzyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
- CAS RN: 1105196-92-6
- Product Code: starshine_CAS1105196-92-6
- Purity/Analytical method: >99.0%
-
1-(2-aminoethyl)-5-(2-methylbenzyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
- CAS RN: 1105196-98-2
- Product Code: starshine_CAS1105196-98-2
- Purity/Analytical method: >99.0%
-
1-(2-aminoethyl)-5-(2-fluorobenzyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
- CAS RN: 1105197-02-1
- Product Code: starshine_CAS1105197-02-1
- Purity/Analytical method: >99.0%
![CAS 1105196-80-2 1-(2-aminoethyl)-5-[(4-chlorophenyl)methyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1105196-80-2.gif)
![CAS 1105196-83-5 1-(2-aminoethyl)-5-(4-methylbenzyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1105196-83-5.gif)
![CAS 1105196-86-8 1-(2-aminoethyl)-5-(4-fluorobenzyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1105196-86-8.gif)
![CAS 1105196-92-6 1-(2-aminoethyl)-5-(3-fluorobenzyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1105196-92-6.gif)
![CAS 1105196-98-2 1-(2-aminoethyl)-5-(2-methylbenzyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1105196-98-2.gif)
![CAS 1105197-02-1 1-(2-aminoethyl)-5-(2-fluorobenzyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1105197-02-1.gif)