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Methyl 3-chlorobenzo[b]thiophene-2-carboxylate
TL;DR: Methyl 3-chlorobenzo[b]thiophene-2-carboxylate (CAS 21211-07-4) is a chemical compound with molecular formula C10H7ClO2S and molecular weight 225.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-chloro-1-benzothiophene-2-carboxylate
Also Known As: Methyl 3-chlorobenzo[b]thiophene-2-carboxylate, Methyl 3-chloro-1-benzothiophene-2-carboxylate, Maybridge1_000462, 5-Amino-4,6-dihydroxypyrimidine, methyl 3-chlorobenzothiophene-2-carboxylate
| Molecular Formula | C10H7ClO2S |
|---|---|
| Molecular Weight | 225.99 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.98553 |
| Heavy Atoms | 14 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 21211-07-4 |
|---|---|
| SMILES | COC(=O)C1=C(C2=CC=CC=C2S1)Cl |
| InChIKey | VAPMGETZRJYSLW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-chlorobenzo[b]thiophene-2-carboxylate (CAS 21211-07-4), with molecular formula C10H7ClO2S and molecular weight 225.99 g/mol. IUPAC: methyl 3-chloro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-chlorobenzo[b]thiophene-2-carboxylate
Property Insights of Methyl 3-chlorobenzo[b]thiophene-2-carboxylate
The XLogP value of 3.8 indicates that Methyl 3-chlorobenzo[b]thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, Methyl 3-chlorobenzo[b]thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-chlorobenzo[b]thiophene-2-carboxylate has 0 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 Methyl 3-chlorobenzo[b]thiophene-2-carboxylate?
The CAS number of Methyl 3-chlorobenzo[b]thiophene-2-carboxylate is 21211-07-4.
What is the molecular formula of Methyl 3-chlorobenzo[b]thiophene-2-carboxylate?
The molecular formula of Methyl 3-chlorobenzo[b]thiophene-2-carboxylate is C10H7ClO2S.
What is the molecular weight of Methyl 3-chlorobenzo[b]thiophene-2-carboxylate?
The molecular weight of Methyl 3-chlorobenzo[b]thiophene-2-carboxylate is 225.99 g/mol.
Where can I buy Methyl 3-chlorobenzo[b]thiophene-2-carboxylate?
You can request a quote for Methyl 3-chlorobenzo[b]thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-chlorobenzo[b]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-chlorobenzo[b]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.