2-(N-benzyl-4-methylphenylsulfonamido)acetic acid
TL;DR: 2-(N-benzyl-4-methylphenylsulfonamido)acetic acid (CAS 20158-69-4) is a chemical compound with molecular formula C16H17NO4S and molecular weight 319.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[benzyl-(4-methylphenyl)sulfonylamino]acetic acid
Also Known As: 2-(N-benzyl-4-methylphenylsulfonamido)acetic acid, N-benzyl-N-tosylglycine, N-benzyl-N-[(4-methylphenyl)sulfonyl]glycine, (N-benzyl-N-tosylamino)acetic acid, 2-[benzyl-(4-methylphenyl)sulfonylamino]acetic acid
| Molecular Formula | C16H17NO4S |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 319.08783 |
| Heavy Atoms | 22 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 20158-69-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)O |
| InChIKey | KVTANZMSACMJTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(N-benzyl-4-methylphenylsulfonamido)acetic acid (CAS 20158-69-4), with molecular formula C16H17NO4S and molecular weight 319.09 g/mol. IUPAC: 2-[benzyl-(4-methylphenyl)sulfonylamino]acetic acid.
Chemical Property Profile of 2-(N-benzyl-4-methylphenylsulfonamido)acetic acid
Property Insights of 2-(N-benzyl-4-methylphenylsulfonamido)acetic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(N-benzyl-4-methylphenylsulfonamido)acetic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(N-benzyl-4-methylphenylsulfonamido)acetic acid. Following Lipinski's Rule of Five, 2-(N-benzyl-4-methylphenylsulfonamido)acetic acid has 1 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-(N-benzyl-4-methylphenylsulfonamido)acetic acid?
The CAS number of 2-(N-benzyl-4-methylphenylsulfonamido)acetic acid is 20158-69-4.
What is the molecular formula of 2-(N-benzyl-4-methylphenylsulfonamido)acetic acid?
The molecular formula of 2-(N-benzyl-4-methylphenylsulfonamido)acetic acid is C16H17NO4S.
What is the molecular weight of 2-(N-benzyl-4-methylphenylsulfonamido)acetic acid?
The molecular weight of 2-(N-benzyl-4-methylphenylsulfonamido)acetic acid is 319.09 g/mol.
Where can I buy 2-(N-benzyl-4-methylphenylsulfonamido)acetic acid?
You can request a quote for 2-(N-benzyl-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-benzyl-4-methylphenylsulfonamido)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(N-benzyl-4-methylphenylsulfonamido)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.