3-Chloro-6-nitro-1-benzothiophene-2-carboxamide
TL;DR: 3-Chloro-6-nitro-1-benzothiophene-2-carboxamide (CAS 34586-83-9) is a chemical compound with molecular formula C9H5ClN2O3S and molecular weight 255.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-6-nitro-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-6-nitro-1-benzothiophene-2-carboxamide, KSC-1-100, 3-chloro-6-nitro-benzothiophene-2-carboxamide, 3-chloro-6-nitrobenzo[b]thiophene-2-carboxamide, AB00102901-01
| Molecular Formula | C9H5ClN2O3S |
|---|---|
| Molecular Weight | 255.97 g/mol |
| LogP | 2.5618 |
| Topological Polar Surface Area | 86.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.97095 |
| Heavy Atoms | 16 |
| Complexity | 608.06506 |
Chemical Identifiers
| CAS Number | 34586-83-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])SC(=C2Cl)C(=O)N |
Product Overview
3-Chloro-6-nitro-1-benzothiophene-2-carboxamide (CAS 34586-83-9), with molecular formula C9H5ClN2O3S and molecular weight 255.97 g/mol. IUPAC: 3-chloro-6-nitro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-Chloro-6-nitro-1-benzothiophene-2-carboxamide
Property Insights of 3-Chloro-6-nitro-1-benzothiophene-2-carboxamide
The XLogP value of 2.5618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-6-nitro-1-benzothiophene-2-carboxamide. The TPSA of 86.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-6-nitro-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, 3-Chloro-6-nitro-1-benzothiophene-2-carboxamide 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 3-Chloro-6-nitro-1-benzothiophene-2-carboxamide?
The CAS number of 3-Chloro-6-nitro-1-benzothiophene-2-carboxamide is 34586-83-9.
What is the molecular formula of 3-Chloro-6-nitro-1-benzothiophene-2-carboxamide?
The molecular formula of 3-Chloro-6-nitro-1-benzothiophene-2-carboxamide is C9H5ClN2O3S.
What is the molecular weight of 3-Chloro-6-nitro-1-benzothiophene-2-carboxamide?
The molecular weight of 3-Chloro-6-nitro-1-benzothiophene-2-carboxamide is 255.97 g/mol.
Where can I buy 3-Chloro-6-nitro-1-benzothiophene-2-carboxamide?
You can request a quote for 3-Chloro-6-nitro-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-6-nitro-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-6-nitro-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.