2-(N-(4-bromobenzyl)-4-methylphenylsulfonamido)acetic acid
TL;DR: 2-(N-(4-bromobenzyl)-4-methylphenylsulfonamido)acetic acid (CAS 593261-60-0) 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.
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetic acid
Also Known As: N-(4-Bromobenzyl)-N-tosylglycine, 2-(N-(4-bromobenzyl)-4-methylphenylsulfonamido)acetic acid, N-(4-bromobenzyl)-N-[(4-methylphenyl)sulfonyl]glycine, 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonyl-amino]acetic Acid, 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetic acid
| Molecular Formula | C16H16BrNO4S |
|---|---|
| Molecular Weight | 397.00 g/mol |
| LogP | 3.03302 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.99835 |
| Heavy Atoms | 23 |
| Complexity | 785.8349 |
Chemical Identifiers
| CAS Number | 593261-60-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Br)CC(=O)O |
Product Overview
2-(N-(4-bromobenzyl)-4-methylphenylsulfonamido)acetic acid (CAS 593261-60-0), with molecular formula C16H16BrNO4S and molecular weight 397.00 g/mol. IUPAC: 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetic acid.
Chemical Property Profile of 2-(N-(4-bromobenzyl)-4-methylphenylsulfonamido)acetic acid
Property Insights of 2-(N-(4-bromobenzyl)-4-methylphenylsulfonamido)acetic acid
The XLogP value of 3.03302 indicates that 2-(N-(4-bromobenzyl)-4-methylphenylsulfonamido)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(N-(4-bromobenzyl)-4-methylphenylsulfonamido)acetic acid. Following Lipinski's Rule of Five, 2-(N-(4-bromobenzyl)-4-methylphenylsulfonamido)acetic acid has 1 hydrogen bond donor(s) and 3 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-(N-(4-bromobenzyl)-4-methylphenylsulfonamido)acetic acid?
The CAS number of 2-(N-(4-bromobenzyl)-4-methylphenylsulfonamido)acetic acid is 593261-60-0.
What is the molecular formula of 2-(N-(4-bromobenzyl)-4-methylphenylsulfonamido)acetic acid?
The molecular formula of 2-(N-(4-bromobenzyl)-4-methylphenylsulfonamido)acetic acid is C16H16BrNO4S.
What is the molecular weight of 2-(N-(4-bromobenzyl)-4-methylphenylsulfonamido)acetic acid?
The molecular weight of 2-(N-(4-bromobenzyl)-4-methylphenylsulfonamido)acetic acid is 397.00 g/mol.
Where can I buy 2-(N-(4-bromobenzyl)-4-methylphenylsulfonamido)acetic acid?
You can request a quote for 2-(N-(4-bromobenzyl)-4-methylphenylsulfonamido)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(N-(4-bromobenzyl)-4-methylphenylsulfonamido)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(N-(4-bromobenzyl)-4-methylphenylsulfonamido)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.