4-Bromo-2-methylphenyl 3-chloro-1-benzothiophene-2-carboxylate
TL;DR: 4-Bromo-2-methylphenyl 3-chloro-1-benzothiophene-2-carboxylate (CAS 444148-99-6) is a chemical compound with molecular formula C16H10BrClO2S and molecular weight 379.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-2-methylphenyl) 3-chloro-1-benzothiophene-2-carboxylate
Also Known As: 4-bromo-2-methylphenyl 3-chloro-1-benzothiophene-2-carboxylate, 4-bromo-2-methylphenyl 3-chlorobenzo[b]thiophene-2-carboxylate, (4-bromo-2-methylphenyl) 3-chloro-1-benzothiophene-2-carboxylate
| Molecular Formula | C16H10BrClO2S |
|---|---|
| Molecular Weight | 379.93 g/mol |
| LogP | 5.84482 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 379.92734 |
| Heavy Atoms | 21 |
| Complexity | 841.4093 |
Chemical Identifiers
| CAS Number | 444148-99-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)OC(=O)C2=C(C3=CC=CC=C3S2)Cl |
Product Overview
4-Bromo-2-methylphenyl 3-chloro-1-benzothiophene-2-carboxylate (CAS 444148-99-6), with molecular formula C16H10BrClO2S and molecular weight 379.93 g/mol. IUPAC: (4-bromo-2-methylphenyl) 3-chloro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of 4-Bromo-2-methylphenyl 3-chloro-1-benzothiophene-2-carboxylate
Property Insights of 4-Bromo-2-methylphenyl 3-chloro-1-benzothiophene-2-carboxylate
The XLogP value of 5.84482 indicates that 4-Bromo-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 26.3 Ų, 4-Bromo-2-methylphenyl 3-chloro-1-benzothiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-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 4-Bromo-2-methylphenyl 3-chloro-1-benzothiophene-2-carboxylate?
The CAS number of 4-Bromo-2-methylphenyl 3-chloro-1-benzothiophene-2-carboxylate is 444148-99-6.
What is the molecular formula of 4-Bromo-2-methylphenyl 3-chloro-1-benzothiophene-2-carboxylate?
The molecular formula of 4-Bromo-2-methylphenyl 3-chloro-1-benzothiophene-2-carboxylate is C16H10BrClO2S.
What is the molecular weight of 4-Bromo-2-methylphenyl 3-chloro-1-benzothiophene-2-carboxylate?
The molecular weight of 4-Bromo-2-methylphenyl 3-chloro-1-benzothiophene-2-carboxylate is 379.93 g/mol.
Where can I buy 4-Bromo-2-methylphenyl 3-chloro-1-benzothiophene-2-carboxylate?
You can request a quote for 4-Bromo-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 4-Bromo-2-methylphenyl 3-chloro-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-methylphenyl 3-chloro-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.