5-Methyl-2-(propan-2-yl)phenyl 4-bromobenzene-1-sulfonate
TL;DR: 5-Methyl-2-(propan-2-yl)phenyl 4-bromobenzene-1-sulfonate (CAS 858848-30-3) is a chemical compound with molecular formula C16H17BrO3S and molecular weight 368.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-propan-2-ylphenyl) 4-bromobenzenesulfonate
Also Known As: p-Bromobenzenesulfonic acid, thymyl ester, 5-methyl-2-(propan-2-yl)phenyl 4-bromobenzene-1-sulfonate, (5-methyl-2-propan-2-ylphenyl) 4-bromobenzenesulfonate, (2-isopropyl-5-methyl-phenyl) 4-bromobenzenesulfonate, F3386-4710
| Molecular Formula | C16H17BrO3S |
|---|---|
| Molecular Weight | 368.01 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.00818 |
| Heavy Atoms | 21 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 858848-30-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OS(=O)(=O)C2=CC=C(C=C2)Br |
| InChIKey | ZPSFOSWMUGLISF-UHFFFAOYSA-N |
Product Overview
5-Methyl-2-(propan-2-yl)phenyl 4-bromobenzene-1-sulfonate (CAS 858848-30-3), with molecular formula C16H17BrO3S and molecular weight 368.01 g/mol. IUPAC: (5-methyl-2-propan-2-ylphenyl) 4-bromobenzenesulfonate.
Chemical Property Profile of 5-Methyl-2-(propan-2-yl)phenyl 4-bromobenzene-1-sulfonate
Property Insights of 5-Methyl-2-(propan-2-yl)phenyl 4-bromobenzene-1-sulfonate
The XLogP value of 5.2 indicates that 5-Methyl-2-(propan-2-yl)phenyl 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, 5-Methyl-2-(propan-2-yl)phenyl 4-bromobenzene-1-sulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-(propan-2-yl)phenyl 4-bromobenzene-1-sulfonate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Methyl-2-(propan-2-yl)phenyl 4-bromobenzene-1-sulfonate?
The CAS number of 5-Methyl-2-(propan-2-yl)phenyl 4-bromobenzene-1-sulfonate is 858848-30-3.
What is the molecular formula of 5-Methyl-2-(propan-2-yl)phenyl 4-bromobenzene-1-sulfonate?
The molecular formula of 5-Methyl-2-(propan-2-yl)phenyl 4-bromobenzene-1-sulfonate is C16H17BrO3S.
What is the molecular weight of 5-Methyl-2-(propan-2-yl)phenyl 4-bromobenzene-1-sulfonate?
The molecular weight of 5-Methyl-2-(propan-2-yl)phenyl 4-bromobenzene-1-sulfonate is 368.01 g/mol.
Where can I buy 5-Methyl-2-(propan-2-yl)phenyl 4-bromobenzene-1-sulfonate?
You can request a quote for 5-Methyl-2-(propan-2-yl)phenyl 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 5-Methyl-2-(propan-2-yl)phenyl 4-bromobenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-(propan-2-yl)phenyl 4-bromobenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.