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(2R)-[(4-Nitrobenzene-1-sulfonyl)amino](phenyl)acetic acid
TL;DR: (2R)-[(4-Nitrobenzene-1-sulfonyl)amino](phenyl)acetic acid (CAS 117309-50-9) is a chemical compound with molecular formula C14H12N2O6S and molecular weight 336.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[(4-nitrophenyl)sulfonylamino]-2-phenylacetic acid
Also Known As: NCI60_008527, (2R)-{[(4-nitrophenyl)sulfonyl]amino}(phenyl)ethanoic acid, (2R)-2-[(4-nitrophenyl)sulfonylamino]-2-phenylacetic acid, (2R)-[(4-Nitrobenzene-1-sulfonyl)amino](phenyl)acetic acid, Benzeneacetic acid, alpha-[[(4-nitrophenyl)sulfonyl]amino]-, (R)-
| Molecular Formula | C14H12N2O6S |
|---|---|
| Molecular Weight | 336.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.0416 |
| Heavy Atoms | 23 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 117309-50-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)[C@H](C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | VMUUBYKWPNNGRO-CYBMUJFWSA-N |
Product Overview
(2R)-[(4-Nitrobenzene-1-sulfonyl)amino](phenyl)acetic acid (CAS 117309-50-9), with molecular formula C14H12N2O6S and molecular weight 336.04 g/mol. IUPAC: (2R)-2-[(4-nitrophenyl)sulfonylamino]-2-phenylacetic acid.
Chemical Property Profile of (2R)-[(4-Nitrobenzene-1-sulfonyl)amino](phenyl)acetic acid
Property Insights of (2R)-[(4-Nitrobenzene-1-sulfonyl)amino](phenyl)acetic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R)-[(4-Nitrobenzene-1-sulfonyl)amino](phenyl)acetic acid. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R)-[(4-Nitrobenzene-1-sulfonyl)amino](phenyl)acetic acid. Following Lipinski's Rule of Five, (2R)-[(4-Nitrobenzene-1-sulfonyl)amino](phenyl)acetic acid has 2 hydrogen bond donor(s) and 7 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 (2R)-[(4-Nitrobenzene-1-sulfonyl)amino](phenyl)acetic acid?
The CAS number of (2R)-[(4-Nitrobenzene-1-sulfonyl)amino](phenyl)acetic acid is 117309-50-9.
What is the molecular formula of (2R)-[(4-Nitrobenzene-1-sulfonyl)amino](phenyl)acetic acid?
The molecular formula of (2R)-[(4-Nitrobenzene-1-sulfonyl)amino](phenyl)acetic acid is C14H12N2O6S.
What is the molecular weight of (2R)-[(4-Nitrobenzene-1-sulfonyl)amino](phenyl)acetic acid?
The molecular weight of (2R)-[(4-Nitrobenzene-1-sulfonyl)amino](phenyl)acetic acid is 336.04 g/mol.
Where can I buy (2R)-[(4-Nitrobenzene-1-sulfonyl)amino](phenyl)acetic acid?
You can request a quote for (2R)-[(4-Nitrobenzene-1-sulfonyl)amino](phenyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R)-[(4-Nitrobenzene-1-sulfonyl)amino](phenyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2R)-[(4-Nitrobenzene-1-sulfonyl)amino](phenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.