(S)-3-(3-(1-carboxy-2-methylpropyl)ureido)benzoic acid
TL;DR: (S)-3-(3-(1-carboxy-2-methylpropyl)ureido)benzoic acid (CAS 955972-48-2) is a chemical compound with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(1S)-1-carboxy-2-methylpropyl]carbamoylamino]benzoic acid
Also Known As: (S)-3-(3-(1-carboxy-2-methylpropyl)ureido)benzoic acid, 3-[(1-carboxy-2-methyl-propyl)carbamoylamino]benzoic Acid, 3-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]carbamoylamino]benzoic acid
| Molecular Formula | C13H16N2O5 |
|---|---|
| Molecular Weight | 280.11 g/mol |
| LogP | 1.6155 |
| Topological Polar Surface Area | 115.73 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.10593 |
| Heavy Atoms | 20 |
| Complexity | 527.24774 |
Chemical Identifiers
| CAS Number | 955972-48-2 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)NC1=CC=CC(=C1)C(=O)O |
Product Overview
(S)-3-(3-(1-carboxy-2-methylpropyl)ureido)benzoic acid (CAS 955972-48-2), with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol. IUPAC: 3-[[(1S)-1-carboxy-2-methylpropyl]carbamoylamino]benzoic acid.
Chemical Property Profile of (S)-3-(3-(1-carboxy-2-methylpropyl)ureido)benzoic acid
Property Insights of (S)-3-(3-(1-carboxy-2-methylpropyl)ureido)benzoic acid
The XLogP value of 1.6155 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-(3-(1-carboxy-2-methylpropyl)ureido)benzoic acid. The TPSA of 115.73 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-(3-(1-carboxy-2-methylpropyl)ureido)benzoic acid. Following Lipinski's Rule of Five, (S)-3-(3-(1-carboxy-2-methylpropyl)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-carboxy-2-methylpropyl)ureido)benzoic acid?
The CAS number of (S)-3-(3-(1-carboxy-2-methylpropyl)ureido)benzoic acid is 955972-48-2.
What is the molecular formula of (S)-3-(3-(1-carboxy-2-methylpropyl)ureido)benzoic acid?
The molecular formula of (S)-3-(3-(1-carboxy-2-methylpropyl)ureido)benzoic acid is C13H16N2O5.
What is the molecular weight of (S)-3-(3-(1-carboxy-2-methylpropyl)ureido)benzoic acid?
The molecular weight of (S)-3-(3-(1-carboxy-2-methylpropyl)ureido)benzoic acid is 280.11 g/mol.
Where can I buy (S)-3-(3-(1-carboxy-2-methylpropyl)ureido)benzoic acid?
You can request a quote for (S)-3-(3-(1-carboxy-2-methylpropyl)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-carboxy-2-methylpropyl)ureido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-(3-(1-carboxy-2-methylpropyl)ureido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.