![2-(4-Bromophenyl)-2-oxoethyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate structure](/static/products/6649/664976-39-0.webp)
2-(4-Bromophenyl)-2-oxoethyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate
TL;DR: 2-(4-Bromophenyl)-2-oxoethyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate (CAS 664976-39-0) is a chemical compound with molecular formula C23H19BrO5S and molecular weight 486.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] 4-[(4-methylphenyl)sulfonylmethyl]benzoate
Also Known As: 2-(4-bromophenyl)-2-oxoethyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate, [2-(4-bromophenyl)-2-oxoethyl] 4-[(4-methylphenyl)sulfonylmethyl]benzoate
| Molecular Formula | C23H19BrO5S |
|---|---|
| Molecular Weight | 486.01 g/mol |
| LogP | 4.77112 |
| Topological Polar Surface Area | 77.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 486.01367 |
| Heavy Atoms | 30 |
| Complexity | 1149.7251 |
Chemical Identifiers
| CAS Number | 664976-39-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Br |
Product Overview
2-(4-Bromophenyl)-2-oxoethyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate (CAS 664976-39-0), with molecular formula C23H19BrO5S and molecular weight 486.01 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] 4-[(4-methylphenyl)sulfonylmethyl]benzoate.
Chemical Property Profile of 2-(4-Bromophenyl)-2-oxoethyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate
Property Insights of 2-(4-Bromophenyl)-2-oxoethyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate
The XLogP value of 4.77112 indicates that 2-(4-Bromophenyl)-2-oxoethyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Bromophenyl)-2-oxoethyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-2-oxoethyl 4-{[(4-methylphenyl)sulfonyl]methyl}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 2-(4-Bromophenyl)-2-oxoethyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate?
The CAS number of 2-(4-Bromophenyl)-2-oxoethyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate is 664976-39-0.
What is the molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate?
The molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate is C23H19BrO5S.
What is the molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate?
The molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate is 486.01 g/mol.
Where can I buy 2-(4-Bromophenyl)-2-oxoethyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate?
You can request a quote for 2-(4-Bromophenyl)-2-oxoethyl 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 2-(4-Bromophenyl)-2-oxoethyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-2-oxoethyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.