N-Phenylacetylaspartic acid
TL;DR: N-Phenylacetylaspartic acid (CAS 17079-41-3) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-phenylacetyl)amino]butanedioic acid
Also Known As: N-Phenylacetylaspartic acid, Phenylacetylaspartic acid, N-(Phenylacetyl)aspartic acid, N-(Phenylacetyl)aspartic acid #, aspartic acid, N-(phenylacetyl)-
| Molecular Formula | C12H13NO5 |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 251.07938 |
| Heavy Atoms | 18 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 17079-41-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)NC(CC(=O)O)C(=O)O |
| InChIKey | SVFKZPQPMMZHLZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Phenylacetylaspartic acid (CAS 17079-41-3), with molecular formula C12H13NO5 and molecular weight 251.08 g/mol. IUPAC: 2-[(2-phenylacetyl)amino]butanedioic acid.
Chemical Property Profile of N-Phenylacetylaspartic acid
Property Insights of N-Phenylacetylaspartic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Phenylacetylaspartic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Phenylacetylaspartic acid. Following Lipinski's Rule of Five, N-Phenylacetylaspartic 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-Phenylacetylaspartic acid?
The CAS number of N-Phenylacetylaspartic acid is 17079-41-3.
What is the molecular formula of N-Phenylacetylaspartic acid?
The molecular formula of N-Phenylacetylaspartic acid is C12H13NO5.
What is the molecular weight of N-Phenylacetylaspartic acid?
The molecular weight of N-Phenylacetylaspartic acid is 251.08 g/mol.
Where can I buy N-Phenylacetylaspartic acid?
You can request a quote for N-Phenylacetylaspartic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Phenylacetylaspartic acid?
Yes, KEHONG BIO provides custom synthesis services for N-Phenylacetylaspartic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.