Methyl hippurate
TL;DR: Methyl hippurate (CAS 1205-08-9) is a chemical compound with molecular formula C10H11NO3 and molecular weight 193.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-benzamidoacetate
Also Known As: methyl 2-benzamidoacetate, Methyl hippurate, Methyl N-benzoylglycinate, methylhippurate, Methylhippurat
| Molecular Formula | C10H11NO3 |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 193.0739 |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
| Solubility | 17.0 mg/mL |
Chemical Identifiers
| CAS Number | 1205-08-9 |
|---|---|
| SMILES | COC(=O)CNC(=O)C1=CC=CC=C1 |
| InChIKey | XTKVNQKOTKPCKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl hippurate (CAS 1205-08-9), with molecular formula C10H11NO3 and molecular weight 193.07 g/mol. IUPAC: methyl 2-benzamidoacetate.
Chemical Property Profile of Methyl hippurate
Property Insights of Methyl hippurate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl hippurate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl hippurate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 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 Methyl hippurate?
The CAS number of Methyl hippurate is 1205-08-9.
What is the molecular formula of Methyl hippurate?
The molecular formula of Methyl hippurate is C10H11NO3.
What is the molecular weight of Methyl hippurate?
The molecular weight of Methyl hippurate is 193.07 g/mol.
Where can I buy Methyl hippurate?
You can request a quote for Methyl hippurate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl hippurate?
Yes, KEHONG BIO provides custom synthesis services for Methyl hippurate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.