N-Benzoylaspartic acid
TL;DR: N-Benzoylaspartic acid (CAS 4631-12-3) is a chemical compound with molecular formula C11H11NO5 and molecular weight 237.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzamidobutanedioic acid
Also Known As: N-Benzoylaspartic acid, 2-benzamidobutanedioic acid, N-benzoyl-L-aspartic acid, L-N-Benzoylaspartic acid, N-benzoyl-D,L-aspartic acid
| Molecular Formula | C11H11NO5 |
|---|---|
| Molecular Weight | 237.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.06372 |
| Heavy Atoms | 17 |
| Complexity | 309.0 |
| Melting Point | 171 - 173 °C |
Chemical Identifiers
| CAS Number | 4631-12-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(CC(=O)O)C(=O)O |
| InChIKey | DJLTZJGULPLVOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Benzoylaspartic acid (CAS 4631-12-3), with molecular formula C11H11NO5 and molecular weight 237.06 g/mol. IUPAC: 2-benzamidobutanedioic acid.
Chemical Property Profile of N-Benzoylaspartic acid
Property Insights of N-Benzoylaspartic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzoylaspartic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Benzoylaspartic acid. Following Lipinski's Rule of Five, N-Benzoylaspartic acid has 3 hydrogen bond donor(s) and 5 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 N-Benzoylaspartic acid?
The CAS number of N-Benzoylaspartic acid is 4631-12-3.
What is the molecular formula of N-Benzoylaspartic acid?
The molecular formula of N-Benzoylaspartic acid is C11H11NO5.
What is the molecular weight of N-Benzoylaspartic acid?
The molecular weight of N-Benzoylaspartic acid is 237.06 g/mol.
Where can I buy N-Benzoylaspartic acid?
You can request a quote for N-Benzoylaspartic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzoylaspartic acid?
Yes, KEHONG BIO provides custom synthesis services for N-Benzoylaspartic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.