![CAS 1363381-39-8 5-tert-butyl 3-ethyl 4H,5H,6H,7H-thieno[3,2-c]pyridine-3,5-dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1363381-39-8.gif)
CAS RN: 1363381-39-8
5-tert-butyl 3-ethyl 4H,5H,6H,7H-thieno[3,2-c]pyridine-3,5-dicarboxylate
- Product code: SSC-045323
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 | Shenzhen | Inquiry |
1363381-39-8 / 5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-3,5-dicarboxylate
Basic Information
CAS
1363381-39-8
Multi CAS
No
Molecular Formula
C15H21NO4S
Molecular Weight
311.400000
Exact Mass
311.119129
SMILES
CCOC(=O)C1=CSC2=C1CN(CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H21NO4S/c1-5-19-13(17)11-9-21-12-6-7-16(8-10(11)12)14(18)20-15(2,3)4/h9H,5-8H2,1-4H3
InChIKey
SWOKCCMRUMVETA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
80.62
TPSA
55.84
LogP / Solubility
WLOGP
3.22
MLOGP
2.85
XLogP3
2.6
Consensus LogP
2.89
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 1363381-40-1 4-Chloro-5-(Methylsulfonyl)-7H-pyrrolo[2,3-d]pyriMidine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4-Chloro-5-(Methylsulfonyl)-7H-pyrrolo[2,3-d]pyriMidine
- CAS RN: 1363381-40-1
- Product Code: SSC-045324
-
Methyl 1-Methyl 5-broMo-1H-indazole-3-carboxylate
- CAS RN: 1363381-41-2
- Product Code: SSC-045325
-
8-Boc-2-oxo-3-oxa-1,8-diaza-spiro[5.5]undecane
- CAS RN: 1363381-43-4
- Product Code: SSC-045326
-
(1,1-Dioxo-2,3-dihydro-1H-benzo[b]thiophen-6-yl)MethylaMine
- CAS RN: 1363381-44-5
- Product Code: starshine_CAS1363381-44-5
- Purity/Analytical method: >99.0%
-
Ethyl 5-broMopyrazolo[1,5-a]pyridine-2-carboxylate
- CAS RN: 1363381-49-0
- Product Code: SSC-045327
-
Methyl 3-azabicyclo[3.1.1]heptane-6-carboxylate hydrochloride
- CAS RN: 1363381-51-4
- Product Code: SSC-045328
![CAS 1363381-40-1 4-Chloro-5-(Methylsulfonyl)-7H-pyrrolo[2,3-d]pyriMidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1363381-40-1.gif)
![CAS 1363381-43-4 8-Boc-2-oxo-3-oxa-1,8-diaza-spiro[5.5]undecane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1363381-43-4.gif)
![CAS 1363381-44-5 (1,1-Dioxo-2,3-dihydro-1H-benzo[b]thiophen-6-yl)MethylaMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1363381-44-5.gif)
![CAS 1363381-49-0 Ethyl 5-broMopyrazolo[1,5-a]pyridine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1363381-49-0.gif)
![CAS 1363381-51-4 Methyl 3-azabicyclo[3.1.1]heptane-6-carboxylate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB02615305(1).gif)