Methanesulfonic acid, bromo-, 2-chloroethyl ester
TL;DR: Methanesulfonic acid, bromo-, 2-chloroethyl ester (CAS 54114-52-2) is a chemical compound with molecular formula C3H6BrClO3S and molecular weight 235.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl bromomethanesulfonate
Also Known As: 2-chloroethyl bromomethanesulfonate, Methanesulfonic acid, 2-chloroethyl ester, Methanesulfonic acid, bromo-, 2-chloroethyl ester, Methanesulfonic acid,bromo-,2-chloroethyl ester
| Molecular Formula | C3H6BrClO3S |
|---|---|
| Molecular Weight | 235.89 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.89096 |
| Heavy Atoms | 9 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 54114-52-2 |
|---|---|
| SMILES | C(CCl)OS(=O)(=O)CBr |
| InChIKey | WIHDTUIYKADSFU-UHFFFAOYSA-N |
Product Overview
Methanesulfonic acid, bromo-, 2-chloroethyl ester (CAS 54114-52-2), with molecular formula C3H6BrClO3S and molecular weight 235.89 g/mol. IUPAC: 2-chloroethyl bromomethanesulfonate.
Chemical Property Profile of Methanesulfonic acid, bromo-, 2-chloroethyl ester
Property Insights of Methanesulfonic acid, bromo-, 2-chloroethyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanesulfonic acid, bromo-, 2-chloroethyl ester. With a topological polar surface area (TPSA) of 51.8 Ų, Methanesulfonic acid, bromo-, 2-chloroethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methanesulfonic acid, bromo-, 2-chloroethyl ester 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 Methanesulfonic acid, bromo-, 2-chloroethyl ester?
The CAS number of Methanesulfonic acid, bromo-, 2-chloroethyl ester is 54114-52-2.
What is the molecular formula of Methanesulfonic acid, bromo-, 2-chloroethyl ester?
The molecular formula of Methanesulfonic acid, bromo-, 2-chloroethyl ester is C3H6BrClO3S.
What is the molecular weight of Methanesulfonic acid, bromo-, 2-chloroethyl ester?
The molecular weight of Methanesulfonic acid, bromo-, 2-chloroethyl ester is 235.89 g/mol.
Where can I buy Methanesulfonic acid, bromo-, 2-chloroethyl ester?
You can request a quote for Methanesulfonic acid, bromo-, 2-chloroethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanesulfonic acid, bromo-, 2-chloroethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Methanesulfonic acid, bromo-, 2-chloroethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.