Benzylglyoxal
TL;DR: Benzylglyoxal (CAS 56485-38-2) is a chemical compound with molecular formula C9H8O2 and molecular weight 148.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-3-phenylpropanal
Also Known As: 2-oxo-3-phenylpropanal, benzylglyoxal, Benzyl Glyoxal, 2-OXO-3-PHENYL-PROPANAL, Benzenepropanal, a-oxo-
| Molecular Formula | C9H8O2 |
|---|---|
| Molecular Weight | 148.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 148.05243 |
| Heavy Atoms | 11 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 56485-38-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)C=O |
| InChIKey | OFMBSIAKTAZWIE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzylglyoxal (CAS 56485-38-2), with molecular formula C9H8O2 and molecular weight 148.05 g/mol. IUPAC: 2-oxo-3-phenylpropanal.
Chemical Property Profile of Benzylglyoxal
Property Insights of Benzylglyoxal
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzylglyoxal. With a topological polar surface area (TPSA) of 34.1 Ų, Benzylglyoxal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylglyoxal has 0 hydrogen bond donor(s) and 2 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 Benzylglyoxal?
The CAS number of Benzylglyoxal is 56485-38-2.
What is the molecular formula of Benzylglyoxal?
The molecular formula of Benzylglyoxal is C9H8O2.
What is the molecular weight of Benzylglyoxal?
The molecular weight of Benzylglyoxal is 148.05 g/mol.
Where can I buy Benzylglyoxal?
You can request a quote for Benzylglyoxal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylglyoxal?
Yes, KEHONG BIO provides custom synthesis services for Benzylglyoxal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.