苯丙酮酸
TL;DR: 苯丙酮酸 (CAS 156-06-9) is a chemical compound with molecular formula C9H8O3 and molecular weight 164.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯丙酮酸
2-oxo-3-phenylpropanoic acid
Also Known As: phenylpyruvic acid, 2-Oxo-3-phenylpropanoic acid, 3-Phenylpyruvic acid, phenylpyruvate, keto-phenylpyruvate
| Molecular Formula | C9H8O3 |
|---|---|
| Molecular Weight | 164.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.04735 |
| Heavy Atoms | 12 |
| Complexity | 180.0 |
| Melting Point | 154 °C |
| Solubility | 112 mg/mL |
Chemical Identifiers
| CAS Number | 156-06-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)C(=O)O |
| InChIKey | BTNMPGBKDVTSJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯丙酮酸 (CAS 156-06-9), with molecular formula C9H8O3 and molecular weight 164.05 g/mol. IUPAC: 2-oxo-3-phenylpropanoic acid.
Chemical Property Profile of 苯丙酮酸
Property Insights of 苯丙酮酸
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯丙酮酸. With a topological polar surface area (TPSA) of 54.4 Ų, 苯丙酮酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯丙酮酸 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 苯丙酮酸?
The CAS number of 苯丙酮酸 is 156-06-9.
What is the molecular formula of 苯丙酮酸?
The molecular formula of 苯丙酮酸 is C9H8O3.
What is the molecular weight of 苯丙酮酸?
The molecular weight of 苯丙酮酸 is 164.05 g/mol.
Where can I buy 苯丙酮酸?
You can request a quote for 苯丙酮酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯丙酮酸?
Yes, KEHONG BIO provides custom synthesis services for 苯丙酮酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.