![2-Cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)acetamide structure](/static/products/912/912894-29-2.png)
2-Cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)acetamide
TL;DR: 2-Cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)acetamide (CAS 912894-29-2) is a chemical compound with molecular formula C12H11N3OS and molecular weight 245.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Also Known As: 2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide, 2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide, J3.622.079A, 2-Cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide, 1-(2-Fluoro-4-nitrophenyl)piperidine-4-carboxamide
| Molecular Formula | C12H11N3OS |
|---|---|
| Molecular Weight | 245.06 g/mol |
| LogP | 2.35076 |
| Topological Polar Surface Area | 76.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.06229 |
| Heavy Atoms | 17 |
| Complexity | 533.17126 |
Chemical Identifiers
| CAS Number | 912894-29-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CC#N)C#N |
Product Overview
2-Cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)acetamide (CAS 912894-29-2), with molecular formula C12H11N3OS and molecular weight 245.06 g/mol. IUPAC: 2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide.
Chemical Property Profile of 2-Cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)acetamide
Property Insights of 2-Cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)acetamide
The XLogP value of 2.35076 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)acetamide. The TPSA of 76.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)acetamide. Following Lipinski's Rule of Five, 2-Cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)acetamide has 1 hydrogen bond donor(s) and 4 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 2-Cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)acetamide?
The CAS number of 2-Cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)acetamide is 912894-29-2.
What is the molecular formula of 2-Cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)acetamide?
The molecular formula of 2-Cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)acetamide is C12H11N3OS.
What is the molecular weight of 2-Cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)acetamide?
The molecular weight of 2-Cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)acetamide is 245.06 g/mol.
Where can I buy 2-Cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)acetamide?
You can request a quote for 2-Cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.