苯乙醛酸
TL;DR: 苯乙醛酸 (CAS 611-73-4) is a chemical compound with molecular formula C8H6O3 and molecular weight 150.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯乙醛酸
2-oxo-2-phenylacetic acid
Also Known As: Phenylglyoxylic acid, BENZOYLFORMIC ACID, 2-Oxo-2-phenylacetic acid, Oxophenylacetic acid, Phenylglyoxalate
| Molecular Formula | C8H6O3 |
|---|---|
| Molecular Weight | 150.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.0317 |
| Heavy Atoms | 11 |
| Complexity | 168.0 |
| Melting Point | 66 |
| Boiling Point | 163 |
| Solubility | 920000 |
Chemical Identifiers
| CAS Number | 611-73-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(=O)O |
| InChIKey | FAQJJMHZNSSFSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯乙醛酸 (CAS 611-73-4), with molecular formula C8H6O3 and molecular weight 150.03 g/mol. IUPAC: 2-oxo-2-phenylacetic acid.
Chemical Property Profile of 苯乙醛酸
Property Insights of 苯乙醛酸
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯乙醛酸. With a topological polar surface area (TPSA) of 54.4 Ų, 苯乙醛酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯乙醛酸 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 苯乙醛酸?
The CAS number of 苯乙醛酸 is 611-73-4.
What is the molecular formula of 苯乙醛酸?
The molecular formula of 苯乙醛酸 is C8H6O3.
What is the molecular weight of 苯乙醛酸?
The molecular weight of 苯乙醛酸 is 150.03 g/mol.
Where can I buy 苯乙醛酸?
You can request a quote for 苯乙醛酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯乙醛酸?
Yes, KEHONG BIO provides custom synthesis services for 苯乙醛酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.