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Methyl 3-hydroxybenzo[b]thiophene-3-carboxylate
TL;DR: Methyl 3-hydroxybenzo[b]thiophene-3-carboxylate (CAS 13134-76-4) is a chemical compound with molecular formula C10H8O3S and molecular weight 208.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-hydroxy-1-benzothiophene-2-carboxylate
Also Known As: Methyl 3-hydroxybenzo[b]thiophene-2-carboxylate, Methyl 3-hydroxy-1-benzothiophene-2-carboxylate, Maybridge4_000295, 3,5-DICHLOROPHENETHYLALCOHOL, Methyl 3-hydroxybenzo(b)thiophene-3-carboxylate
| Molecular Formula | C10H8O3S |
|---|---|
| Molecular Weight | 208.02 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.01941 |
| Heavy Atoms | 14 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 13134-76-4 |
|---|---|
| SMILES | COC(=O)C1=C(C2=CC=CC=C2S1)O |
| InChIKey | KNSQDHMBDAMMNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-hydroxybenzo[b]thiophene-3-carboxylate (CAS 13134-76-4), with molecular formula C10H8O3S and molecular weight 208.02 g/mol. IUPAC: methyl 3-hydroxy-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-hydroxybenzo[b]thiophene-3-carboxylate
Property Insights of Methyl 3-hydroxybenzo[b]thiophene-3-carboxylate
The XLogP value of 3.3 indicates that Methyl 3-hydroxybenzo[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-hydroxybenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, Methyl 3-hydroxybenzo[b]thiophene-3-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 3-hydroxybenzo[b]thiophene-3-carboxylate?
The CAS number of Methyl 3-hydroxybenzo[b]thiophene-3-carboxylate is 13134-76-4.
What is the molecular formula of Methyl 3-hydroxybenzo[b]thiophene-3-carboxylate?
The molecular formula of Methyl 3-hydroxybenzo[b]thiophene-3-carboxylate is C10H8O3S.
What is the molecular weight of Methyl 3-hydroxybenzo[b]thiophene-3-carboxylate?
The molecular weight of Methyl 3-hydroxybenzo[b]thiophene-3-carboxylate is 208.02 g/mol.
Where can I buy Methyl 3-hydroxybenzo[b]thiophene-3-carboxylate?
You can request a quote for Methyl 3-hydroxybenzo[b]thiophene-3-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-hydroxybenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-hydroxybenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.