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Methyl 6-chloro-3-hydroxybenzo[b]thiophene-2-carboxylate
TL;DR: Methyl 6-chloro-3-hydroxybenzo[b]thiophene-2-carboxylate (CAS 33851-22-8) is a chemical compound with molecular formula C10H7ClO3S and molecular weight 241.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-chloro-3-hydroxy-1-benzothiophene-2-carboxylate
Also Known As: methyl 6-chloro-3-hydroxybenzo[b]thiophene-2-carboxylate, Maybridge1_001092, 2-(BROMOMETHYL)PHENOL, METHYL 6-CHLORO-3-HYDROXY-1-BENZOTHIOPHENE-2-CARBOXYLATE, methyl 6-chloro-3-hydroxy-benzothiophene-2-carboxylate
| Molecular Formula | C10H7ClO3S |
|---|---|
| Molecular Weight | 241.98 g/mol |
| LogP | 3.0469 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.98044 |
| Heavy Atoms | 15 |
| Complexity | 532.6922 |
Chemical Identifiers
| CAS Number | 33851-22-8 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(S1)C=C(C=C2)Cl)O |
Product Overview
Methyl 6-chloro-3-hydroxybenzo[b]thiophene-2-carboxylate (CAS 33851-22-8), with molecular formula C10H7ClO3S and molecular weight 241.98 g/mol. IUPAC: methyl 6-chloro-3-hydroxy-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Methyl 6-chloro-3-hydroxybenzo[b]thiophene-2-carboxylate
Property Insights of Methyl 6-chloro-3-hydroxybenzo[b]thiophene-2-carboxylate
The XLogP value of 3.0469 indicates that Methyl 6-chloro-3-hydroxybenzo[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 46.53 Ų, Methyl 6-chloro-3-hydroxybenzo[b]thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 6-chloro-3-hydroxybenzo[b]thiophene-2-carboxylate 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 Methyl 6-chloro-3-hydroxybenzo[b]thiophene-2-carboxylate?
The CAS number of Methyl 6-chloro-3-hydroxybenzo[b]thiophene-2-carboxylate is 33851-22-8.
What is the molecular formula of Methyl 6-chloro-3-hydroxybenzo[b]thiophene-2-carboxylate?
The molecular formula of Methyl 6-chloro-3-hydroxybenzo[b]thiophene-2-carboxylate is C10H7ClO3S.
What is the molecular weight of Methyl 6-chloro-3-hydroxybenzo[b]thiophene-2-carboxylate?
The molecular weight of Methyl 6-chloro-3-hydroxybenzo[b]thiophene-2-carboxylate is 241.98 g/mol.
Where can I buy Methyl 6-chloro-3-hydroxybenzo[b]thiophene-2-carboxylate?
You can request a quote for Methyl 6-chloro-3-hydroxybenzo[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 6-chloro-3-hydroxybenzo[b]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-chloro-3-hydroxybenzo[b]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.