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Phenyl 3-chlorobenzo[b]thiophene-2-carboxylate
TL;DR: Phenyl 3-chlorobenzo[b]thiophene-2-carboxylate (CAS 63674-39-5) is a chemical compound with molecular formula C15H9ClO2S and molecular weight 288.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 3-chloro-1-benzothiophene-2-carboxylate
Also Known As: phenyl 3-chlorobenzo[b]thiophene-2-carboxylate, phenyl 3-chloro-1-benzothiophene-2-carboxylate, J2.936.320J, 3-Chlorobenzo[b]thiophene-2-carboxylic acid phenyl ester
| Molecular Formula | C15H9ClO2S |
|---|---|
| Molecular Weight | 288.00 g/mol |
| LogP | 4.7739 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.0012 |
| Heavy Atoms | 19 |
| Complexity | 734.2452 |
Chemical Identifiers
| CAS Number | 63674-39-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3S2)Cl |
Product Overview
Phenyl 3-chlorobenzo[b]thiophene-2-carboxylate (CAS 63674-39-5), with molecular formula C15H9ClO2S and molecular weight 288.00 g/mol. IUPAC: phenyl 3-chloro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Phenyl 3-chlorobenzo[b]thiophene-2-carboxylate
Property Insights of Phenyl 3-chlorobenzo[b]thiophene-2-carboxylate
The XLogP value of 4.7739 indicates that Phenyl 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 26.3 Ų, Phenyl 3-chlorobenzo[b]thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 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 Phenyl 3-chlorobenzo[b]thiophene-2-carboxylate?
The CAS number of Phenyl 3-chlorobenzo[b]thiophene-2-carboxylate is 63674-39-5.
What is the molecular formula of Phenyl 3-chlorobenzo[b]thiophene-2-carboxylate?
The molecular formula of Phenyl 3-chlorobenzo[b]thiophene-2-carboxylate is C15H9ClO2S.
What is the molecular weight of Phenyl 3-chlorobenzo[b]thiophene-2-carboxylate?
The molecular weight of Phenyl 3-chlorobenzo[b]thiophene-2-carboxylate is 288.00 g/mol.
Where can I buy Phenyl 3-chlorobenzo[b]thiophene-2-carboxylate?
You can request a quote for Phenyl 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 Phenyl 3-chlorobenzo[b]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 3-chlorobenzo[b]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.