Methyl 5-bromo-2-(chlorosulfonyl)benzoate
TL;DR: Methyl 5-bromo-2-(chlorosulfonyl)benzoate (CAS 736948-72-4) is a chemical compound with molecular formula C8H6BrClO4S and molecular weight 311.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-bromo-2-chlorosulfonylbenzoate
Also Known As: methyl 5-bromo-2-(chlorosulfonyl)benzoate, methyl 5-bromo-2-chlorosulfonylbenzoate, Methyl 5-bromo-2-chlorosulfonyl-benzoate, methyl5-bromo-2-(chlorosulfonyl)benzoate, 5-bromo-2-chlorosulfonyl-benzoic acid methyl ester
| Molecular Formula | C8H6BrClO4S |
|---|---|
| Molecular Weight | 311.89 g/mol |
| LogP | 2.1632 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.88586 |
| Heavy Atoms | 15 |
| Complexity | 497.3632 |
Chemical Identifiers
| CAS Number | 736948-72-4 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)Br)S(=O)(=O)Cl |
Product Overview
Methyl 5-bromo-2-(chlorosulfonyl)benzoate (CAS 736948-72-4), with molecular formula C8H6BrClO4S and molecular weight 311.89 g/mol. IUPAC: methyl 5-bromo-2-chlorosulfonylbenzoate.
Chemical Property Profile of Methyl 5-bromo-2-(chlorosulfonyl)benzoate
Property Insights of Methyl 5-bromo-2-(chlorosulfonyl)benzoate
The XLogP value of 2.1632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-bromo-2-(chlorosulfonyl)benzoate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-bromo-2-(chlorosulfonyl)benzoate. Following Lipinski's Rule of Five, Methyl 5-bromo-2-(chlorosulfonyl)benzoate has 0 hydrogen bond donor(s) and 4 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 5-bromo-2-(chlorosulfonyl)benzoate?
The CAS number of Methyl 5-bromo-2-(chlorosulfonyl)benzoate is 736948-72-4.
What is the molecular formula of Methyl 5-bromo-2-(chlorosulfonyl)benzoate?
The molecular formula of Methyl 5-bromo-2-(chlorosulfonyl)benzoate is C8H6BrClO4S.
What is the molecular weight of Methyl 5-bromo-2-(chlorosulfonyl)benzoate?
The molecular weight of Methyl 5-bromo-2-(chlorosulfonyl)benzoate is 311.89 g/mol.
Where can I buy Methyl 5-bromo-2-(chlorosulfonyl)benzoate?
You can request a quote for Methyl 5-bromo-2-(chlorosulfonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-bromo-2-(chlorosulfonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-bromo-2-(chlorosulfonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.