![3-Chloro-6-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester structure](/static/products/5981/59812-36-1.webp)
3-Chloro-6-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester
TL;DR: 3-Chloro-6-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester (CAS 59812-36-1) is a chemical compound with molecular formula C10H6ClNO4S and molecular weight 270.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate
Also Known As: 3-Chloro-6-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester, methyl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate, BAS 00751192, methyl 3-chloro-6-nitrobenzo[b]thiophene-2-carboxylate, methyl 3-chloro-6-nitro-benzothiophene-2-carboxylate
| Molecular Formula | C10H6ClNO4S |
|---|---|
| Molecular Weight | 270.97 g/mol |
| LogP | 3.2495 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.9706 |
| Heavy Atoms | 17 |
| Complexity | 622.0386 |
Chemical Identifiers
| CAS Number | 59812-36-1 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(S1)C=C(C=C2)[N+](=O)[O-])Cl |
Product Overview
3-Chloro-6-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester (CAS 59812-36-1), with molecular formula C10H6ClNO4S and molecular weight 270.97 g/mol. IUPAC: methyl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of 3-Chloro-6-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester
Property Insights of 3-Chloro-6-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester
The XLogP value of 3.2495 indicates that 3-Chloro-6-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-6-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester. Following Lipinski's Rule of Five, 3-Chloro-6-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester has 0 hydrogen bond donor(s) and 5 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-benzo[b]thiophene-2-carboxylic acid methyl ester?
The CAS number of 3-Chloro-6-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester is 59812-36-1.
What is the molecular formula of 3-Chloro-6-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester?
The molecular formula of 3-Chloro-6-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester is C10H6ClNO4S.
What is the molecular weight of 3-Chloro-6-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester?
The molecular weight of 3-Chloro-6-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester is 270.97 g/mol.
Where can I buy 3-Chloro-6-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester?
You can request a quote for 3-Chloro-6-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester 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-benzo[b]thiophene-2-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-6-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.