alpha-((2-Mercapto-1-oxopropyl)amino)benzeneacetic acid
TL;DR: alpha-((2-Mercapto-1-oxopropyl)amino)benzeneacetic acid (CAS 52574-95-5) is a chemical compound with molecular formula C11H13NO3S and molecular weight 239.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-2-(2-sulfanylpropanoylamino)acetic acid
Also Known As: alpha-((2-Mercapto-1-oxopropyl)amino)benzeneacetic acid, 2-phenyl-2-(2-sulfanylpropanoylamino)acetic acid, Benzeneacetic acid, alpha-((2-mercapto-1-oxopropyl)amino)-, [(1-Hydroxy-2-sulfanylpropylidene)amino](phenyl)acetic acid, Benzeneacetic acid, .alpha.-[(2-mercapto-1-oxopropyl)amino]-
| Molecular Formula | C11H13NO3S |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.06161 |
| Heavy Atoms | 16 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 52574-95-5 |
|---|---|
| SMILES | CC(C(=O)NC(C1=CC=CC=C1)C(=O)O)S |
| InChIKey | XDDQQGBXNRQIDE-UHFFFAOYSA-N |
Product Overview
alpha-((2-Mercapto-1-oxopropyl)amino)benzeneacetic acid (CAS 52574-95-5), with molecular formula C11H13NO3S and molecular weight 239.06 g/mol. IUPAC: 2-phenyl-2-(2-sulfanylpropanoylamino)acetic acid.
Chemical Property Profile of alpha-((2-Mercapto-1-oxopropyl)amino)benzeneacetic acid
Property Insights of alpha-((2-Mercapto-1-oxopropyl)amino)benzeneacetic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-((2-Mercapto-1-oxopropyl)amino)benzeneacetic acid. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-((2-Mercapto-1-oxopropyl)amino)benzeneacetic acid. Following Lipinski's Rule of Five, alpha-((2-Mercapto-1-oxopropyl)amino)benzeneacetic acid has 3 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 alpha-((2-Mercapto-1-oxopropyl)amino)benzeneacetic acid?
The CAS number of alpha-((2-Mercapto-1-oxopropyl)amino)benzeneacetic acid is 52574-95-5.
What is the molecular formula of alpha-((2-Mercapto-1-oxopropyl)amino)benzeneacetic acid?
The molecular formula of alpha-((2-Mercapto-1-oxopropyl)amino)benzeneacetic acid is C11H13NO3S.
What is the molecular weight of alpha-((2-Mercapto-1-oxopropyl)amino)benzeneacetic acid?
The molecular weight of alpha-((2-Mercapto-1-oxopropyl)amino)benzeneacetic acid is 239.06 g/mol.
Where can I buy alpha-((2-Mercapto-1-oxopropyl)amino)benzeneacetic acid?
You can request a quote for alpha-((2-Mercapto-1-oxopropyl)amino)benzeneacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-((2-Mercapto-1-oxopropyl)amino)benzeneacetic acid?
Yes, KEHONG BIO provides custom synthesis services for alpha-((2-Mercapto-1-oxopropyl)amino)benzeneacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.