(2-Methylphenyl)4-bromobenzenesulfonate
TL;DR: (2-Methylphenyl)4-bromobenzenesulfonate (CAS 7463-25-4) 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.
(2-methylphenyl) 4-bromobenzenesulfonate
Also Known As: (2-methylphenyl)4-bromobenzenesulfonate, (2-methylphenyl) 4-bromobenzenesulfonate, 1-Bromo-4-(2-methylphenoxy)sulfonyl-benzene, 2-Methylphenyl 4-bromobenzene-1-sulfonate
| 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 | 355.0 |
Chemical Identifiers
| CAS Number | 7463-25-4 |
|---|---|
| SMILES | CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)Br |
| InChIKey | CWXXRMDWLWLJPB-UHFFFAOYSA-N |
Product Overview
(2-Methylphenyl)4-bromobenzenesulfonate (CAS 7463-25-4), with molecular formula C13H11BrO3S and molecular weight 325.96 g/mol. IUPAC: (2-methylphenyl) 4-bromobenzenesulfonate.
Chemical Property Profile of (2-Methylphenyl)4-bromobenzenesulfonate
Property Insights of (2-Methylphenyl)4-bromobenzenesulfonate
The XLogP value of 4.1 indicates that (2-Methylphenyl)4-bromobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, (2-Methylphenyl)4-bromobenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Methylphenyl)4-bromobenzenesulfonate 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 (2-Methylphenyl)4-bromobenzenesulfonate?
The CAS number of (2-Methylphenyl)4-bromobenzenesulfonate is 7463-25-4.
What is the molecular formula of (2-Methylphenyl)4-bromobenzenesulfonate?
The molecular formula of (2-Methylphenyl)4-bromobenzenesulfonate is C13H11BrO3S.
What is the molecular weight of (2-Methylphenyl)4-bromobenzenesulfonate?
The molecular weight of (2-Methylphenyl)4-bromobenzenesulfonate is 325.96 g/mol.
Where can I buy (2-Methylphenyl)4-bromobenzenesulfonate?
You can request a quote for (2-Methylphenyl)4-bromobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Methylphenyl)4-bromobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (2-Methylphenyl)4-bromobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.