5-Methyl-2-propylphenyl 4-bromobenzenesulfonate
TL;DR: 5-Methyl-2-propylphenyl 4-bromobenzenesulfonate (CAS 94572-11-9) 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-propylphenyl) 4-bromobenzenesulfonate
Also Known As: 5-methyl-2-propylphenyl 4-bromobenzenesulfonate, (5-methyl-2-propylphenyl) 4-bromobenzenesulfonate, 5-Methyl-2-propylphenyl 4-bromobenzene-1-sulfonate
| Molecular Formula | C16H17BrO3S |
|---|---|
| Molecular Weight | 368.01 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.00818 |
| Heavy Atoms | 21 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 94572-11-9 |
|---|---|
| SMILES | CCCC1=C(C=C(C=C1)C)OS(=O)(=O)C2=CC=C(C=C2)Br |
| InChIKey | NXQIUPWTSLIRBQ-UHFFFAOYSA-N |
Product Overview
5-Methyl-2-propylphenyl 4-bromobenzenesulfonate (CAS 94572-11-9), with molecular formula C16H17BrO3S and molecular weight 368.01 g/mol. IUPAC: (5-methyl-2-propylphenyl) 4-bromobenzenesulfonate.
Chemical Property Profile of 5-Methyl-2-propylphenyl 4-bromobenzenesulfonate
Property Insights of 5-Methyl-2-propylphenyl 4-bromobenzenesulfonate
The XLogP value of 5.4 indicates that 5-Methyl-2-propylphenyl 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, 5-Methyl-2-propylphenyl 4-bromobenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-propylphenyl 4-bromobenzenesulfonate 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-propylphenyl 4-bromobenzenesulfonate?
The CAS number of 5-Methyl-2-propylphenyl 4-bromobenzenesulfonate is 94572-11-9.
What is the molecular formula of 5-Methyl-2-propylphenyl 4-bromobenzenesulfonate?
The molecular formula of 5-Methyl-2-propylphenyl 4-bromobenzenesulfonate is C16H17BrO3S.
What is the molecular weight of 5-Methyl-2-propylphenyl 4-bromobenzenesulfonate?
The molecular weight of 5-Methyl-2-propylphenyl 4-bromobenzenesulfonate is 368.01 g/mol.
Where can I buy 5-Methyl-2-propylphenyl 4-bromobenzenesulfonate?
You can request a quote for 5-Methyl-2-propylphenyl 4-bromobenzenesulfonate 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-propylphenyl 4-bromobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-propylphenyl 4-bromobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.