![{[Phenyl-(toluene-4-sulfonylimino)-methyl]-amino}-acetic acid structure](/static/products/3011/301194-85-4.webp)
{[Phenyl-(toluene-4-sulfonylimino)-methyl]-amino}-acetic acid
TL;DR: {[Phenyl-(toluene-4-sulfonylimino)-methyl]-amino}-acetic acid (CAS 301194-85-4) is a chemical compound with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]acetic acid
Also Known As: 2-(N'-tosylbenzimidamido)acetic acid, BAS 01094877, AB00099338-01, {[Phenyl-(toluene-4-sulfonylimino)-methyl]-amino}-acetic acid, 2-[N'-(4-methylbenzenesulfonyl)-1-phenylmethanimidamido]acetic acid
| Molecular Formula | C16H16N2O4S |
|---|---|
| Molecular Weight | 332.08 g/mol |
| LogP | 1.80472 |
| Topological Polar Surface Area | 95.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.08307 |
| Heavy Atoms | 23 |
| Complexity | 812.9186 |
Chemical Identifiers
| CAS Number | 301194-85-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(=NCC(=O)O)C2=CC=CC=C2 |
Product Overview
{[Phenyl-(toluene-4-sulfonylimino)-methyl]-amino}-acetic acid (CAS 301194-85-4), with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol. IUPAC: 2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]acetic acid.
Chemical Property Profile of {[Phenyl-(toluene-4-sulfonylimino)-methyl]-amino}-acetic acid
Property Insights of {[Phenyl-(toluene-4-sulfonylimino)-methyl]-amino}-acetic acid
The XLogP value of 1.80472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {[Phenyl-(toluene-4-sulfonylimino)-methyl]-amino}-acetic acid. The TPSA of 95.83 Ų falls within the moderate polarity range, balancing permeability and solubility for {[Phenyl-(toluene-4-sulfonylimino)-methyl]-amino}-acetic acid. Following Lipinski's Rule of Five, {[Phenyl-(toluene-4-sulfonylimino)-methyl]-amino}-acetic acid has 2 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 {[Phenyl-(toluene-4-sulfonylimino)-methyl]-amino}-acetic acid?
The CAS number of {[Phenyl-(toluene-4-sulfonylimino)-methyl]-amino}-acetic acid is 301194-85-4.
What is the molecular formula of {[Phenyl-(toluene-4-sulfonylimino)-methyl]-amino}-acetic acid?
The molecular formula of {[Phenyl-(toluene-4-sulfonylimino)-methyl]-amino}-acetic acid is C16H16N2O4S.
What is the molecular weight of {[Phenyl-(toluene-4-sulfonylimino)-methyl]-amino}-acetic acid?
The molecular weight of {[Phenyl-(toluene-4-sulfonylimino)-methyl]-amino}-acetic acid is 332.08 g/mol.
Where can I buy {[Phenyl-(toluene-4-sulfonylimino)-methyl]-amino}-acetic acid?
You can request a quote for {[Phenyl-(toluene-4-sulfonylimino)-methyl]-amino}-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[Phenyl-(toluene-4-sulfonylimino)-methyl]-amino}-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {[Phenyl-(toluene-4-sulfonylimino)-methyl]-amino}-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.