(S)-2-(((4-Amino-1-carboxy-4-oxobutyl)amino)carbonyl)benzoic acid
TL;DR: (S)-2-(((4-Amino-1-carboxy-4-oxobutyl)amino)carbonyl)benzoic acid (CAS 1763-79-7) is a chemical compound with molecular formula C13H14N2O6 and molecular weight 294.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(1S)-4-amino-1-carboxy-4-oxobutyl]carbamoyl]benzoic acid
Also Known As: N-Phthaloylglutamine, alpha-N-Phthaloylglutamine, N-alpha-Phthaloyl glutamine, N-(o-Carboxybenzoyl)-DL-glutamine, N2-(2-Carboxybenzoyl)-L-glutamine
| Molecular Formula | C13H14N2O6 |
|---|---|
| Molecular Weight | 294.09 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 294.08517 |
| Heavy Atoms | 21 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 1763-79-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)N[C@@H](CCC(=O)N)C(=O)O)C(=O)O |
| InChIKey | ZIMWCUUEMGFXNW-VIFPVBQESA-N |
Product Overview
(S)-2-(((4-Amino-1-carboxy-4-oxobutyl)amino)carbonyl)benzoic acid (CAS 1763-79-7), with molecular formula C13H14N2O6 and molecular weight 294.09 g/mol. IUPAC: 2-[[(1S)-4-amino-1-carboxy-4-oxobutyl]carbamoyl]benzoic acid.
Chemical Property Profile of (S)-2-(((4-Amino-1-carboxy-4-oxobutyl)amino)carbonyl)benzoic acid
Property Insights of (S)-2-(((4-Amino-1-carboxy-4-oxobutyl)amino)carbonyl)benzoic acid
The XLogP value of -0.4 indicates that (S)-2-(((4-Amino-1-carboxy-4-oxobutyl)amino)carbonyl)benzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.0 Ų indicates high polarity, suggesting (S)-2-(((4-Amino-1-carboxy-4-oxobutyl)amino)carbonyl)benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (S)-2-(((4-Amino-1-carboxy-4-oxobutyl)amino)carbonyl)benzoic acid has 4 hydrogen bond donor(s) and 6 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)-2-(((4-Amino-1-carboxy-4-oxobutyl)amino)carbonyl)benzoic acid?
The CAS number of (S)-2-(((4-Amino-1-carboxy-4-oxobutyl)amino)carbonyl)benzoic acid is 1763-79-7.
What is the molecular formula of (S)-2-(((4-Amino-1-carboxy-4-oxobutyl)amino)carbonyl)benzoic acid?
The molecular formula of (S)-2-(((4-Amino-1-carboxy-4-oxobutyl)amino)carbonyl)benzoic acid is C13H14N2O6.
What is the molecular weight of (S)-2-(((4-Amino-1-carboxy-4-oxobutyl)amino)carbonyl)benzoic acid?
The molecular weight of (S)-2-(((4-Amino-1-carboxy-4-oxobutyl)amino)carbonyl)benzoic acid is 294.09 g/mol.
Where can I buy (S)-2-(((4-Amino-1-carboxy-4-oxobutyl)amino)carbonyl)benzoic acid?
You can request a quote for (S)-2-(((4-Amino-1-carboxy-4-oxobutyl)amino)carbonyl)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)-2-(((4-Amino-1-carboxy-4-oxobutyl)amino)carbonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(((4-Amino-1-carboxy-4-oxobutyl)amino)carbonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.