3-chloro-N-(cyanomethyl)-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-N-(cyanomethyl)-1-benzothiophene-2-carboxamide (CAS 600122-15-4) is a chemical compound with molecular formula C11H7ClN2OS and molecular weight 250.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(cyanomethyl)-1-benzothiophene-2-carboxamide
Also Known As: BAS 05602557, 3-chloro-N-(cyanomethyl)-1-benzothiophene-2-carboxamide, Benzo[b]thiophene-2-carboxamide,3-chloro-N- -, (3-chlorobenzo[b]thiophen-2-yl)-N-(cyanomethyl)carboxamide, Benzo[b]thiophene-2-carboxamide, 3-chloro-N-(cyanomethyl)- (9CI)
| Molecular Formula | C11H7ClN2OS |
|---|---|
| Molecular Weight | 250.00 g/mol |
| LogP | 2.80808 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.99677 |
| Heavy Atoms | 16 |
| Complexity | 585.17236 |
Chemical Identifiers
| CAS Number | 600122-15-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC#N)Cl |
Product Overview
3-chloro-N-(cyanomethyl)-1-benzothiophene-2-carboxamide (CAS 600122-15-4), with molecular formula C11H7ClN2OS and molecular weight 250.00 g/mol. IUPAC: 3-chloro-N-(cyanomethyl)-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-N-(cyanomethyl)-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-N-(cyanomethyl)-1-benzothiophene-2-carboxamide
The XLogP value of 2.80808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-N-(cyanomethyl)-1-benzothiophene-2-carboxamide. With a topological polar surface area (TPSA) of 52.89 Ų, 3-chloro-N-(cyanomethyl)-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N-(cyanomethyl)-1-benzothiophene-2-carboxamide 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 3-chloro-N-(cyanomethyl)-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-N-(cyanomethyl)-1-benzothiophene-2-carboxamide is 600122-15-4.
What is the molecular formula of 3-chloro-N-(cyanomethyl)-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-N-(cyanomethyl)-1-benzothiophene-2-carboxamide is C11H7ClN2OS.
What is the molecular weight of 3-chloro-N-(cyanomethyl)-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-N-(cyanomethyl)-1-benzothiophene-2-carboxamide is 250.00 g/mol.
Where can I buy 3-chloro-N-(cyanomethyl)-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-N-(cyanomethyl)-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-(cyanomethyl)-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-(cyanomethyl)-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.