![(4-Bromophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate structure](/static/products/7159/71591-08-7.webp)
(4-Bromophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate
TL;DR: (4-Bromophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate (CAS 71591-08-7) is a chemical compound with molecular formula C16H16BrNO4S and molecular weight 397.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate
Also Known As: 4-bromobenzyl 2-(4-methylphenylsulfonamido)acetate, 4-bromobenzyl N-[(4-methylphenyl)sulfonyl]glycinate, (4-bromophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate, 4-BROMOBENZYL 2-{[(4-METHYLPHENYL)SULFONYL]AMINO}ACETATE
| Molecular Formula | C16H16BrNO4S |
|---|---|
| Molecular Weight | 397.00 g/mol |
| LogP | 2.77922 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.99835 |
| Heavy Atoms | 23 |
| Complexity | 770.7325 |
Chemical Identifiers
| CAS Number | 71591-08-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC=C(C=C2)Br |
Product Overview
(4-Bromophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate (CAS 71591-08-7), with molecular formula C16H16BrNO4S and molecular weight 397.00 g/mol. IUPAC: (4-bromophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate.
Chemical Property Profile of (4-Bromophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate
Property Insights of (4-Bromophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate
The XLogP value of 2.77922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Bromophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Bromophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate. Following Lipinski's Rule of Five, (4-Bromophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate has 1 hydrogen bond donor(s) and 4 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 (4-Bromophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate?
The CAS number of (4-Bromophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate is 71591-08-7.
What is the molecular formula of (4-Bromophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate?
The molecular formula of (4-Bromophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate is C16H16BrNO4S.
What is the molecular weight of (4-Bromophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate?
The molecular weight of (4-Bromophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate is 397.00 g/mol.
Where can I buy (4-Bromophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate?
You can request a quote for (4-Bromophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Bromophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate?
Yes, KEHONG BIO provides custom synthesis services for (4-Bromophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.