Phenyl hippurate
TL;DR: Phenyl hippurate (CAS 2979-54-6) is a chemical compound with molecular formula C15H13NO3 and molecular weight 255.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2-benzamidoacetate
Also Known As: Phenyl hippurate, phenyl n-benzoylglycinate, phenyl 2-benzamidoacetate, N-Benzoylglycine phenyl ester, phenyl 2-(phenylformamido)acetate
| Molecular Formula | C15H13NO3 |
|---|---|
| Molecular Weight | 255.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.08954 |
| Heavy Atoms | 19 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 2979-54-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NCC(=O)OC2=CC=CC=C2 |
| InChIKey | ZOSCMQBDSZBUAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl hippurate (CAS 2979-54-6), with molecular formula C15H13NO3 and molecular weight 255.09 g/mol. IUPAC: phenyl 2-benzamidoacetate.
Chemical Property Profile of Phenyl hippurate
Property Insights of Phenyl hippurate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl hippurate. With a topological polar surface area (TPSA) of 55.4 Ų, Phenyl hippurate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl hippurate has 1 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 Phenyl hippurate?
The CAS number of Phenyl hippurate is 2979-54-6.
What is the molecular formula of Phenyl hippurate?
The molecular formula of Phenyl hippurate is C15H13NO3.
What is the molecular weight of Phenyl hippurate?
The molecular weight of Phenyl hippurate is 255.09 g/mol.
Where can I buy Phenyl hippurate?
You can request a quote for Phenyl hippurate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl hippurate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl hippurate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.