Butyl 4-(4-bromophenyl)sulfonyloxybenzoate
TL;DR: Butyl 4-(4-bromophenyl)sulfonyloxybenzoate (CAS 331462-35-2) is a chemical compound with molecular formula C17H17BrO5S and molecular weight 412.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-(4-bromophenyl)sulfonyloxybenzoate
Also Known As: Butyl 4-(4-bromophenyl)sulfonyloxybenzoate, butyl 4-{[(4-bromophenyl)sulfonyl]oxy}benzenecarboxylate, butyl 4-[(4-bromobenzenesulfonyl)oxy]benzoate, Butyl4-(((4-bromophenyl)sulfonyl)oxy)benzoate, Butyl 4-(((4-bromophenyl)sulfonyl)oxy)benzoate
| Molecular Formula | C17H17BrO5S |
|---|---|
| Molecular Weight | 412.00 g/mol |
| LogP | 4.1737 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.99802 |
| Heavy Atoms | 24 |
| Complexity | 782.73553 |
Chemical Identifiers
| CAS Number | 331462-35-2 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)Br |
Product Overview
Butyl 4-(4-bromophenyl)sulfonyloxybenzoate (CAS 331462-35-2), with molecular formula C17H17BrO5S and molecular weight 412.00 g/mol. IUPAC: butyl 4-(4-bromophenyl)sulfonyloxybenzoate.
Chemical Property Profile of Butyl 4-(4-bromophenyl)sulfonyloxybenzoate
Property Insights of Butyl 4-(4-bromophenyl)sulfonyloxybenzoate
The XLogP value of 4.1737 indicates that Butyl 4-(4-bromophenyl)sulfonyloxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-(4-bromophenyl)sulfonyloxybenzoate. Following Lipinski's Rule of Five, Butyl 4-(4-bromophenyl)sulfonyloxybenzoate has 0 hydrogen bond donor(s) and 5 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 Butyl 4-(4-bromophenyl)sulfonyloxybenzoate?
The CAS number of Butyl 4-(4-bromophenyl)sulfonyloxybenzoate is 331462-35-2.
What is the molecular formula of Butyl 4-(4-bromophenyl)sulfonyloxybenzoate?
The molecular formula of Butyl 4-(4-bromophenyl)sulfonyloxybenzoate is C17H17BrO5S.
What is the molecular weight of Butyl 4-(4-bromophenyl)sulfonyloxybenzoate?
The molecular weight of Butyl 4-(4-bromophenyl)sulfonyloxybenzoate is 412.00 g/mol.
Where can I buy Butyl 4-(4-bromophenyl)sulfonyloxybenzoate?
You can request a quote for Butyl 4-(4-bromophenyl)sulfonyloxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-(4-bromophenyl)sulfonyloxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-(4-bromophenyl)sulfonyloxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.