A3664/0155291
TL;DR: A3664/0155291 (CAS 955975-99-2) is a chemical compound with molecular formula C14H13N5O3S and molecular weight 331.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-nitropyrazol-1-yl)acetamide
Also Known As: A3664/0155291, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-nitro-1H-pyrazol-1-yl)acetamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-nitropyrazol-1-yl)acetamide
| Molecular Formula | C14H13N5O3S |
|---|---|
| Molecular Weight | 331.07 g/mol |
| LogP | 2.24198 |
| Topological Polar Surface Area | 113.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.0739 |
| Heavy Atoms | 23 |
| Complexity | 816.97974 |
Chemical Identifiers
| CAS Number | 955975-99-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C=CC(=N3)[N+](=O)[O-])C#N |
Product Overview
A3664/0155291 (CAS 955975-99-2), with molecular formula C14H13N5O3S and molecular weight 331.07 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-nitropyrazol-1-yl)acetamide.
Chemical Property Profile of A3664/0155291
Property Insights of A3664/0155291
The XLogP value of 2.24198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3664/0155291. The TPSA of 113.85 Ų falls within the moderate polarity range, balancing permeability and solubility for A3664/0155291. Following Lipinski's Rule of Five, A3664/0155291 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3664/0155291?
The CAS number of A3664/0155291 is 955975-99-2.
What is the molecular formula of A3664/0155291?
The molecular formula of A3664/0155291 is C14H13N5O3S.
What is the molecular weight of A3664/0155291?
The molecular weight of A3664/0155291 is 331.07 g/mol.
Where can I buy A3664/0155291?
You can request a quote for A3664/0155291 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3664/0155291?
Yes, KEHONG BIO provides custom synthesis services for A3664/0155291 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.