![Benzyl 4-[(4-bromobenzenesulfonyl)oxy]benzoate structure](/static/products/4339/433972-38-4.webp)
Benzyl 4-[(4-bromobenzenesulfonyl)oxy]benzoate
TL;DR: Benzyl 4-[(4-bromobenzenesulfonyl)oxy]benzoate (CAS 433972-38-4) is a chemical compound with molecular formula C20H15BrO5S and molecular weight 445.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(4-bromophenyl)sulfonyloxybenzoate
Also Known As: benzyl 4-[(4-bromobenzenesulfonyl)oxy]benzoate, benzyl 4-(4-bromophenyl)sulfonyloxybenzoate, benzyl 4-{[(4-bromophenyl)sulfonyl]oxy}benzoate, phenylmethyl 4-[(4-bromophenyl)sulfonyloxy]benzoate
| Molecular Formula | C20H15BrO5S |
|---|---|
| Molecular Weight | 445.98 g/mol |
| LogP | 4.5738 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.98236 |
| Heavy Atoms | 27 |
| Complexity | 1014.23193 |
Chemical Identifiers
| CAS Number | 433972-38-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)Br |
Product Overview
Benzyl 4-[(4-bromobenzenesulfonyl)oxy]benzoate (CAS 433972-38-4), with molecular formula C20H15BrO5S and molecular weight 445.98 g/mol. IUPAC: benzyl 4-(4-bromophenyl)sulfonyloxybenzoate.
Chemical Property Profile of Benzyl 4-[(4-bromobenzenesulfonyl)oxy]benzoate
Property Insights of Benzyl 4-[(4-bromobenzenesulfonyl)oxy]benzoate
The XLogP value of 4.5738 indicates that Benzyl 4-[(4-bromobenzenesulfonyl)oxy]benzoate 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 Benzyl 4-[(4-bromobenzenesulfonyl)oxy]benzoate. Following Lipinski's Rule of Five, Benzyl 4-[(4-bromobenzenesulfonyl)oxy]benzoate 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 Benzyl 4-[(4-bromobenzenesulfonyl)oxy]benzoate?
The CAS number of Benzyl 4-[(4-bromobenzenesulfonyl)oxy]benzoate is 433972-38-4.
What is the molecular formula of Benzyl 4-[(4-bromobenzenesulfonyl)oxy]benzoate?
The molecular formula of Benzyl 4-[(4-bromobenzenesulfonyl)oxy]benzoate is C20H15BrO5S.
What is the molecular weight of Benzyl 4-[(4-bromobenzenesulfonyl)oxy]benzoate?
The molecular weight of Benzyl 4-[(4-bromobenzenesulfonyl)oxy]benzoate is 445.98 g/mol.
Where can I buy Benzyl 4-[(4-bromobenzenesulfonyl)oxy]benzoate?
You can request a quote for Benzyl 4-[(4-bromobenzenesulfonyl)oxy]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 4-[(4-bromobenzenesulfonyl)oxy]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 4-[(4-bromobenzenesulfonyl)oxy]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.