![CAS 1105190-33-7 Ethyl (3-amino-4H-thieno[3,4-c]pyrazol-2(6H)-yl)acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1105190-33-7.gif)
CAS RN: 1105190-33-7
Ethyl (3-amino-4H-thieno[3,4-c]pyrazol-2(6H)-yl)acetate
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250528 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1105190-33-7
- Purity/Analytical Methods: >99.0%
1105190-33-7 / ethyl 2-(3-amino-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)acetate
ethyl (3-amino-4H-thieno[3,4-c]pyrazol-2(6H)-yl)acetate | ethyl 2-(3-amino-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)acetate | MFCD11986669
Basic Information
CAS
1105190-33-7
Multi CAS
No
Molecular Formula
C9H13N3O2S
Molecular Weight
227.290000
Exact Mass
227.072848
SMILES
CCOC(=O)CN1C(=C2CSCC2=N1)N
InChI
InChI=1S/C9H13N3O2S/c1-2-14-8(13)3-12-9(10)6-4-15-5-7(6)11-12/h2-5,10H2,1H3
InChIKey
WKBCOINVIMRHES-UHFFFAOYSA-N
Synonyms
ethyl (3-amino-4H-thieno[3,4-c]pyrazol-2(6H)-yl)acetate
ethyl 2-(3-amino-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)acetate
MFCD11986669
AKOS005208390
VU0494710-1
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
58.27
TPSA
70.14
LogP / Solubility
WLOGP
0.78
MLOGP
0.69
XLogP3
0.3
Consensus LogP
0.59
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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