4-Bromophenyl methanesulfonate
TL;DR: 4-Bromophenyl methanesulfonate (CAS 68574-35-6) is a chemical compound with molecular formula C7H7BrO3S and molecular weight 249.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl) methanesulfonate
Also Known As: 4-bromophenyl methanesulfonate, (4-bromophenyl) methanesulfonate, -4-BROMOPHENOL, (O-METHANESULFONYL)-4-BROMOPHENOL, 4-bromophenyl methylsulfonate
| Molecular Formula | C7H7BrO3S |
|---|---|
| Molecular Weight | 249.93 g/mol |
| LogP | 1.7875 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.92993 |
| Heavy Atoms | 12 |
| Complexity | 354.7428 |
Chemical Identifiers
| CAS Number | 68574-35-6 |
|---|---|
| SMILES | CS(=O)(=O)OC1=CC=C(C=C1)Br |
Product Overview
4-Bromophenyl methanesulfonate (CAS 68574-35-6), with molecular formula C7H7BrO3S and molecular weight 249.93 g/mol. IUPAC: (4-bromophenyl) methanesulfonate.
Chemical Property Profile of 4-Bromophenyl methanesulfonate
Property Insights of 4-Bromophenyl methanesulfonate
The XLogP value of 1.7875 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromophenyl methanesulfonate. With a topological polar surface area (TPSA) of 43.37 Ų, 4-Bromophenyl methanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromophenyl methanesulfonate 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 4-Bromophenyl methanesulfonate?
The CAS number of 4-Bromophenyl methanesulfonate is 68574-35-6.
What is the molecular formula of 4-Bromophenyl methanesulfonate?
The molecular formula of 4-Bromophenyl methanesulfonate is C7H7BrO3S.
What is the molecular weight of 4-Bromophenyl methanesulfonate?
The molecular weight of 4-Bromophenyl methanesulfonate is 249.93 g/mol.
Where can I buy 4-Bromophenyl methanesulfonate?
You can request a quote for 4-Bromophenyl methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromophenyl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromophenyl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.