![4-Bromobenzyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate structure](/static/products/6922/692289-19-3.webp)
4-Bromobenzyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate
TL;DR: 4-Bromobenzyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate (CAS 692289-19-3) is a chemical compound with molecular formula C22H19BrO4S and molecular weight 458.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl)methyl 4-[(4-methylphenyl)sulfonylmethyl]benzoate
Also Known As: 4-bromobenzyl 4-(tosylmethyl)benzoate, 4-bromobenzyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate, (4-bromophenyl)methyl 4-[(4-methylphenyl)sulfonylmethyl]benzoate
| Molecular Formula | C22H19BrO4S |
|---|---|
| Molecular Weight | 458.02 g/mol |
| LogP | 5.08842 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.01874 |
| Heavy Atoms | 28 |
| Complexity | 1055.0294 |
Chemical Identifiers
| CAS Number | 692289-19-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)Br |
Product Overview
4-Bromobenzyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate (CAS 692289-19-3), with molecular formula C22H19BrO4S and molecular weight 458.02 g/mol. IUPAC: (4-bromophenyl)methyl 4-[(4-methylphenyl)sulfonylmethyl]benzoate.
Chemical Property Profile of 4-Bromobenzyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate
Property Insights of 4-Bromobenzyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate
The XLogP value of 5.08842 indicates that 4-Bromobenzyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromobenzyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate. Following Lipinski's Rule of Five, 4-Bromobenzyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Bromobenzyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate?
The CAS number of 4-Bromobenzyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate is 692289-19-3.
What is the molecular formula of 4-Bromobenzyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate?
The molecular formula of 4-Bromobenzyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate is C22H19BrO4S.
What is the molecular weight of 4-Bromobenzyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate?
The molecular weight of 4-Bromobenzyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate is 458.02 g/mol.
Where can I buy 4-Bromobenzyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate?
You can request a quote for 4-Bromobenzyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromobenzyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromobenzyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.