馬尿酸
TL;DR: 馬尿酸 (CAS 495-69-2) is a chemical compound with molecular formula C9H9NO3 and molecular weight 179.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
馬尿酸
2-benzamidoacetic acid
Also Known As: Hippuric acid, N-Benzoylglycine, 2-Benzamidoacetic acid, Benzoylglycine, hippurate
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.05824 |
| Heavy Atoms | 13 |
| Complexity | 197.0 |
| Melting Point | 187 - 191 °C |
| Solubility | 3.75 mg/mL |
| Vapor Pressure | 0.00000076 [mmHg] |
Chemical Identifiers
| CAS Number | 495-69-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NCC(=O)O |
| InChIKey | QIAFMBKCNZACKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
馬尿酸 (CAS 495-69-2), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: 2-benzamidoacetic acid.
Chemical Property Profile of 馬尿酸
Property Insights of 馬尿酸
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 馬尿酸. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 馬尿酸. Following Lipinski's Rule of Five, 馬尿酸 has 2 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 馬尿酸?
The CAS number of 馬尿酸 is 495-69-2.
What is the molecular formula of 馬尿酸?
The molecular formula of 馬尿酸 is C9H9NO3.
What is the molecular weight of 馬尿酸?
The molecular weight of 馬尿酸 is 179.06 g/mol.
Where can I buy 馬尿酸?
You can request a quote for 馬尿酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 馬尿酸?
Yes, KEHONG BIO provides custom synthesis services for 馬尿酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.