3,5-Dimethylphenyl 4-bromobenzenesulfonate
TL;DR: 3,5-Dimethylphenyl 4-bromobenzenesulfonate (CAS 433706-05-9) is a chemical compound with molecular formula C14H13BrO3S and molecular weight 339.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethylphenyl) 4-bromobenzenesulfonate
Also Known As: 3,5-dimethylphenyl 4-bromobenzenesulfonate, 3,5-dimethylphenyl 4-bromobenzene-1-sulfonate, (3,5-dimethylphenyl) 4-bromobenzenesulfonate, J3.007.295B, 4-Bromobenzenesulfonic acid 3,5-dimethylphenyl ester
| Molecular Formula | C14H13BrO3S |
|---|---|
| Molecular Weight | 339.98 g/mol |
| LogP | 3.83364 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.97687 |
| Heavy Atoms | 19 |
| Complexity | 670.88104 |
Chemical Identifiers
| CAS Number | 433706-05-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)Br)C |
Product Overview
3,5-Dimethylphenyl 4-bromobenzenesulfonate (CAS 433706-05-9), with molecular formula C14H13BrO3S and molecular weight 339.98 g/mol. IUPAC: (3,5-dimethylphenyl) 4-bromobenzenesulfonate.
Chemical Property Profile of 3,5-Dimethylphenyl 4-bromobenzenesulfonate
Property Insights of 3,5-Dimethylphenyl 4-bromobenzenesulfonate
The XLogP value of 3.83364 indicates that 3,5-Dimethylphenyl 4-bromobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 3,5-Dimethylphenyl 4-bromobenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethylphenyl 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 3,5-Dimethylphenyl 4-bromobenzenesulfonate?
The CAS number of 3,5-Dimethylphenyl 4-bromobenzenesulfonate is 433706-05-9.
What is the molecular formula of 3,5-Dimethylphenyl 4-bromobenzenesulfonate?
The molecular formula of 3,5-Dimethylphenyl 4-bromobenzenesulfonate is C14H13BrO3S.
What is the molecular weight of 3,5-Dimethylphenyl 4-bromobenzenesulfonate?
The molecular weight of 3,5-Dimethylphenyl 4-bromobenzenesulfonate is 339.98 g/mol.
Where can I buy 3,5-Dimethylphenyl 4-bromobenzenesulfonate?
You can request a quote for 3,5-Dimethylphenyl 4-bromobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethylphenyl 4-bromobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethylphenyl 4-bromobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.