Ethyl Hippurate
TL;DR: Ethyl Hippurate (CAS 178980-02-4) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzamidoacetate
Also Known As: Ethyl Hippurate, ethyl 2-benzamidoacetate, ethyl N-benzoylglycinate, Ethylhippurate, Hippuric acid ethyl
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 178980-02-4 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)C1=CC=CC=C1 |
| InChIKey | PTXRQIPIELXJFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl Hippurate (CAS 178980-02-4), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: ethyl 2-benzamidoacetate.
Chemical Property Profile of Ethyl Hippurate
Property Insights of Ethyl Hippurate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl Hippurate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl Hippurate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 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 Ethyl Hippurate?
The CAS number of Ethyl Hippurate is 178980-02-4.
What is the molecular formula of Ethyl Hippurate?
The molecular formula of Ethyl Hippurate is C11H13NO3.
What is the molecular weight of Ethyl Hippurate?
The molecular weight of Ethyl Hippurate is 207.09 g/mol.
Where can I buy Ethyl Hippurate?
You can request a quote for Ethyl Hippurate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl Hippurate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl Hippurate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.