![2-chloro-N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}acetamide structure](/static/products/3156/315684-12-9.webp)
2-chloro-N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}acetamide
TL;DR: 2-chloro-N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}acetamide (CAS 315684-12-9) is a chemical compound with molecular formula C12H13ClN2OS and molecular weight 268.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide
Also Known As: 2-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide, 2-Chloro-N- -acetamide, AKOS B015568, 2-Chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-acetamide, 2-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)acetamide
| Molecular Formula | C12H13ClN2OS |
|---|---|
| Molecular Weight | 268.04 g/mol |
| LogP | 3.06598 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.0437 |
| Heavy Atoms | 17 |
| Complexity | 475.58557 |
Chemical Identifiers
| CAS Number | 315684-12-9 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CCl |
Product Overview
2-chloro-N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}acetamide (CAS 315684-12-9), with molecular formula C12H13ClN2OS and molecular weight 268.04 g/mol. IUPAC: 2-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide.
Chemical Property Profile of 2-chloro-N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}acetamide
Property Insights of 2-chloro-N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}acetamide
The XLogP value of 3.06598 indicates that 2-chloro-N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 2-chloro-N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}acetamide has 1 hydrogen bond donor(s) and 3 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-chloro-N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}acetamide?
The CAS number of 2-chloro-N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}acetamide is 315684-12-9.
What is the molecular formula of 2-chloro-N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}acetamide?
The molecular formula of 2-chloro-N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}acetamide is C12H13ClN2OS.
What is the molecular weight of 2-chloro-N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}acetamide?
The molecular weight of 2-chloro-N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}acetamide is 268.04 g/mol.
Where can I buy 2-chloro-N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}acetamide?
You can request a quote for 2-chloro-N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-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-chloro-N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.