Methyl 4-fluoro-1-benzothiophene-2-carboxylate
TL;DR: Methyl 4-fluoro-1-benzothiophene-2-carboxylate (CAS 220180-55-2) is a chemical compound with molecular formula C10H7FO2S and molecular weight 210.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-fluoro-1-benzothiophene-2-carboxylate
Also Known As: Methyl 4-fluorobenzo[b]thiophene-2-carboxylate, methyl 4-fluoro-1-benzothiophene-2-carboxylate, 4-Fluoro-benzo[b]thiophene-2-carboxylic acid methyl ester, 1144AB, ASN 15364920
| Molecular Formula | C10H7FO2S |
|---|---|
| Molecular Weight | 210.02 g/mol |
| LogP | 2.827 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.01508 |
| Heavy Atoms | 14 |
| Complexity | 489.8277 |
Chemical Identifiers
| CAS Number | 220180-55-2 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=CC=C2S1)F |
Product Overview
Methyl 4-fluoro-1-benzothiophene-2-carboxylate (CAS 220180-55-2), with molecular formula C10H7FO2S and molecular weight 210.02 g/mol. IUPAC: methyl 4-fluoro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Methyl 4-fluoro-1-benzothiophene-2-carboxylate
Property Insights of Methyl 4-fluoro-1-benzothiophene-2-carboxylate
The XLogP value of 2.827 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-fluoro-1-benzothiophene-2-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4-fluoro-1-benzothiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-fluoro-1-benzothiophene-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 4-fluoro-1-benzothiophene-2-carboxylate?
The CAS number of Methyl 4-fluoro-1-benzothiophene-2-carboxylate is 220180-55-2.
What is the molecular formula of Methyl 4-fluoro-1-benzothiophene-2-carboxylate?
The molecular formula of Methyl 4-fluoro-1-benzothiophene-2-carboxylate is C10H7FO2S.
What is the molecular weight of Methyl 4-fluoro-1-benzothiophene-2-carboxylate?
The molecular weight of Methyl 4-fluoro-1-benzothiophene-2-carboxylate is 210.02 g/mol.
Where can I buy Methyl 4-fluoro-1-benzothiophene-2-carboxylate?
You can request a quote for Methyl 4-fluoro-1-benzothiophene-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 4-fluoro-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-fluoro-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.