4-Methylphenyl 4-bromobenzene-1-sulfonate
TL;DR: 4-Methylphenyl 4-bromobenzene-1-sulfonate (CAS 7463-23-2) is a chemical compound with molecular formula C13H11BrO3S and molecular weight 325.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl) 4-bromobenzenesulfonate
Also Known As: (4-methylphenyl) 4-bromobenzenesulfonate, 4-Methylphenyl 4-bromobenzene-1-sulfonate, (4-methylphenyl)4-bromobenzenesulfonate
| Molecular Formula | C13H11BrO3S |
|---|---|
| Molecular Weight | 325.96 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.96124 |
| Heavy Atoms | 18 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 7463-23-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)Br |
| InChIKey | FLQXFWSKIIJPNM-UHFFFAOYSA-N |
Product Overview
4-Methylphenyl 4-bromobenzene-1-sulfonate (CAS 7463-23-2), with molecular formula C13H11BrO3S and molecular weight 325.96 g/mol. IUPAC: (4-methylphenyl) 4-bromobenzenesulfonate.
Chemical Property Profile of 4-Methylphenyl 4-bromobenzene-1-sulfonate
Property Insights of 4-Methylphenyl 4-bromobenzene-1-sulfonate
The XLogP value of 4.1 indicates that 4-Methylphenyl 4-bromobenzene-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 4-Methylphenyl 4-bromobenzene-1-sulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylphenyl 4-bromobenzene-1-sulfonate 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-Methylphenyl 4-bromobenzene-1-sulfonate?
The CAS number of 4-Methylphenyl 4-bromobenzene-1-sulfonate is 7463-23-2.
What is the molecular formula of 4-Methylphenyl 4-bromobenzene-1-sulfonate?
The molecular formula of 4-Methylphenyl 4-bromobenzene-1-sulfonate is C13H11BrO3S.
What is the molecular weight of 4-Methylphenyl 4-bromobenzene-1-sulfonate?
The molecular weight of 4-Methylphenyl 4-bromobenzene-1-sulfonate is 325.96 g/mol.
Where can I buy 4-Methylphenyl 4-bromobenzene-1-sulfonate?
You can request a quote for 4-Methylphenyl 4-bromobenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylphenyl 4-bromobenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylphenyl 4-bromobenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.