3-(((2S,4S)-4-Sulfanylpyrrolidine-2-carbonyl)amino)benzoic acid
TL;DR: 3-(((2S,4S)-4-Sulfanylpyrrolidine-2-carbonyl)amino)benzoic acid (CAS 219909-82-7) is a chemical compound with molecular formula C12H14N2O3S and molecular weight 266.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(2S,4S)-4-sulfanylpyrrolidine-2-carbonyl]amino]benzoic acid
Also Known As: Ertapenem Impurity 53, 3-(((2S,4S)-4-Sulfanylpyrrolidine-2-carbonyl)amino)benzoic acid, J1.785.775D, 3-{[(4S)-4-Sulfanyl-L-prolyl]amino}benzoic acid, Benzoic acid, 3-((((2S,4S)-4-mercapto-2-pyrrolidinyl)carbonyl)amino)-
| Molecular Formula | C12H14N2O3S |
|---|---|
| Molecular Weight | 266.07 g/mol |
| LogP | 0.9836 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.0725 |
| Heavy Atoms | 18 |
| Complexity | 478.14526 |
Chemical Identifiers
| CAS Number | 219909-82-7 |
|---|---|
| SMILES | C1[C@@H](CN[C@@H]1C(=O)NC2=CC=CC(=C2)C(=O)O)S |
Product Overview
3-(((2S,4S)-4-Sulfanylpyrrolidine-2-carbonyl)amino)benzoic acid (CAS 219909-82-7), with molecular formula C12H14N2O3S and molecular weight 266.07 g/mol. IUPAC: 3-[[(2S,4S)-4-sulfanylpyrrolidine-2-carbonyl]amino]benzoic acid.
Chemical Property Profile of 3-(((2S,4S)-4-Sulfanylpyrrolidine-2-carbonyl)amino)benzoic acid
Property Insights of 3-(((2S,4S)-4-Sulfanylpyrrolidine-2-carbonyl)amino)benzoic acid
The XLogP value of 0.9836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(((2S,4S)-4-Sulfanylpyrrolidine-2-carbonyl)amino)benzoic acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(((2S,4S)-4-Sulfanylpyrrolidine-2-carbonyl)amino)benzoic acid. Following Lipinski's Rule of Five, 3-(((2S,4S)-4-Sulfanylpyrrolidine-2-carbonyl)amino)benzoic acid has 4 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 3-(((2S,4S)-4-Sulfanylpyrrolidine-2-carbonyl)amino)benzoic acid?
The CAS number of 3-(((2S,4S)-4-Sulfanylpyrrolidine-2-carbonyl)amino)benzoic acid is 219909-82-7.
What is the molecular formula of 3-(((2S,4S)-4-Sulfanylpyrrolidine-2-carbonyl)amino)benzoic acid?
The molecular formula of 3-(((2S,4S)-4-Sulfanylpyrrolidine-2-carbonyl)amino)benzoic acid is C12H14N2O3S.
What is the molecular weight of 3-(((2S,4S)-4-Sulfanylpyrrolidine-2-carbonyl)amino)benzoic acid?
The molecular weight of 3-(((2S,4S)-4-Sulfanylpyrrolidine-2-carbonyl)amino)benzoic acid is 266.07 g/mol.
Where can I buy 3-(((2S,4S)-4-Sulfanylpyrrolidine-2-carbonyl)amino)benzoic acid?
You can request a quote for 3-(((2S,4S)-4-Sulfanylpyrrolidine-2-carbonyl)amino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(((2S,4S)-4-Sulfanylpyrrolidine-2-carbonyl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(((2S,4S)-4-Sulfanylpyrrolidine-2-carbonyl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.