(S)-3-(3-(1-carboxyethyl)ureido)benzoic acid
TL;DR: (S)-3-(3-(1-carboxyethyl)ureido)benzoic acid (CAS 956370-75-5) is a chemical compound with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(1S)-1-carboxyethyl]carbamoylamino]benzoic acid
Also Known As: 3-(1-carboxyethylcarbamoylamino)benzoic Acid, (S)-3-(3-(1-carboxyethyl)ureido)benzoic acid, 3-[[(2S)-1-hydroxy-1-oxopropan-2-yl]carbamoylamino]benzoic acid
| Molecular Formula | C11H12N2O5 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 0.9794 |
| Topological Polar Surface Area | 115.73 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.07462 |
| Heavy Atoms | 18 |
| Complexity | 486.07684 |
Chemical Identifiers
| CAS Number | 956370-75-5 |
|---|---|
| SMILES | C[C@@H](C(=O)O)NC(=O)NC1=CC=CC(=C1)C(=O)O |
Product Overview
(S)-3-(3-(1-carboxyethyl)ureido)benzoic acid (CAS 956370-75-5), with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol. IUPAC: 3-[[(1S)-1-carboxyethyl]carbamoylamino]benzoic acid.
Chemical Property Profile of (S)-3-(3-(1-carboxyethyl)ureido)benzoic acid
Property Insights of (S)-3-(3-(1-carboxyethyl)ureido)benzoic acid
The XLogP value of 0.9794 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-(3-(1-carboxyethyl)ureido)benzoic acid. The TPSA of 115.73 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-(3-(1-carboxyethyl)ureido)benzoic acid. Following Lipinski's Rule of Five, (S)-3-(3-(1-carboxyethyl)ureido)benzoic acid has 4 hydrogen bond donor(s) and 3 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 (S)-3-(3-(1-carboxyethyl)ureido)benzoic acid?
The CAS number of (S)-3-(3-(1-carboxyethyl)ureido)benzoic acid is 956370-75-5.
What is the molecular formula of (S)-3-(3-(1-carboxyethyl)ureido)benzoic acid?
The molecular formula of (S)-3-(3-(1-carboxyethyl)ureido)benzoic acid is C11H12N2O5.
What is the molecular weight of (S)-3-(3-(1-carboxyethyl)ureido)benzoic acid?
The molecular weight of (S)-3-(3-(1-carboxyethyl)ureido)benzoic acid is 252.07 g/mol.
Where can I buy (S)-3-(3-(1-carboxyethyl)ureido)benzoic acid?
You can request a quote for (S)-3-(3-(1-carboxyethyl)ureido)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-(3-(1-carboxyethyl)ureido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-(3-(1-carboxyethyl)ureido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.