RefChem:267365
TL;DR: RefChem:267365 (CAS 40794-04-5) is a chemical compound with molecular formula C14H10BrClO4S and molecular weight 387.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-2-methoxycarbonyl-6-methylphenyl) 5-chlorothiophene-2-carboxylate
Also Known As: 5'-Chloro 2-thenoate 5-bromo orthocresotinate methyle [French], 5'-Chloro 2-thenoate 5-bromo orthocresotinate methyle, 2-Thiophenecarboxylic acid, 5-chloro-, 4-bromo-2-(methoxycarbonyl)-6-methylphenyl ester, 4-bromo-2-(methoxycarbonyl)-6-methylphenyl 5-chlorothiophene-2-carboxylate, 4-Bromo-2-(methoxycarbonyl)-6-methylphenyl 5-chloro-2-thiophenecarboxylate
| Molecular Formula | C14H10BrClO4S |
|---|---|
| Molecular Weight | 387.92 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 80.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.91718 |
| Heavy Atoms | 21 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 40794-04-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OC(=O)C2=CC=C(S2)Cl)C(=O)OC)Br |
| InChIKey | QWXIXTABQGHEQQ-UHFFFAOYSA-N |
Product Overview
RefChem:267365 (CAS 40794-04-5), with molecular formula C14H10BrClO4S and molecular weight 387.92 g/mol. IUPAC: (4-bromo-2-methoxycarbonyl-6-methylphenyl) 5-chlorothiophene-2-carboxylate.
Chemical Property Profile of RefChem:267365
Property Insights of RefChem:267365
The XLogP value of 5.2 indicates that RefChem:267365 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:267365. Following Lipinski's Rule of Five, RefChem:267365 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:267365?
The CAS number of RefChem:267365 is 40794-04-5.
What is the molecular formula of RefChem:267365?
The molecular formula of RefChem:267365 is C14H10BrClO4S.
What is the molecular weight of RefChem:267365?
The molecular weight of RefChem:267365 is 387.92 g/mol.
Where can I buy RefChem:267365?
You can request a quote for RefChem:267365 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:267365?
Yes, KEHONG BIO provides custom synthesis services for RefChem:267365 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.