2-Methylphenyl 3-chloro-1-benzothiophene-2-carboxylate
TL;DR: 2-Methylphenyl 3-chloro-1-benzothiophene-2-carboxylate (CAS 433320-64-0) is a chemical compound with molecular formula C16H11ClO2S and molecular weight 302.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylphenyl) 3-chloro-1-benzothiophene-2-carboxylate
Also Known As: 2-methylphenyl 3-chloro-1-benzothiophene-2-carboxylate, o-tolyl 3-chlorobenzo[b]thiophene-2-carboxylate, AN-329/40887312, (2-methylphenyl) 3-chloro-1-benzothiophene-2-carboxylate, 2-methylphenyl 3-chlorobenzo[b]thiophene-2-carboxylate
| Molecular Formula | C16H11ClO2S |
|---|---|
| Molecular Weight | 302.02 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.0168 |
| Heavy Atoms | 20 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 433320-64-0 |
|---|---|
| SMILES | CC1=CC=CC=C1OC(=O)C2=C(C3=CC=CC=C3S2)Cl |
| InChIKey | WTPWCPXPWPWAMO-UHFFFAOYSA-N |
Product Overview
2-Methylphenyl 3-chloro-1-benzothiophene-2-carboxylate (CAS 433320-64-0), with molecular formula C16H11ClO2S and molecular weight 302.02 g/mol. IUPAC: (2-methylphenyl) 3-chloro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of 2-Methylphenyl 3-chloro-1-benzothiophene-2-carboxylate
Property Insights of 2-Methylphenyl 3-chloro-1-benzothiophene-2-carboxylate
The XLogP value of 5.7 indicates that 2-Methylphenyl 3-chloro-1-benzothiophene-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, 2-Methylphenyl 3-chloro-1-benzothiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylphenyl 3-chloro-1-benzothiophene-2-carboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Methylphenyl 3-chloro-1-benzothiophene-2-carboxylate?
The CAS number of 2-Methylphenyl 3-chloro-1-benzothiophene-2-carboxylate is 433320-64-0.
What is the molecular formula of 2-Methylphenyl 3-chloro-1-benzothiophene-2-carboxylate?
The molecular formula of 2-Methylphenyl 3-chloro-1-benzothiophene-2-carboxylate is C16H11ClO2S.
What is the molecular weight of 2-Methylphenyl 3-chloro-1-benzothiophene-2-carboxylate?
The molecular weight of 2-Methylphenyl 3-chloro-1-benzothiophene-2-carboxylate is 302.02 g/mol.
Where can I buy 2-Methylphenyl 3-chloro-1-benzothiophene-2-carboxylate?
You can request a quote for 2-Methylphenyl 3-chloro-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 2-Methylphenyl 3-chloro-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylphenyl 3-chloro-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.