Ethyl benzoylformate
TL;DR: Ethyl benzoylformate (CAS 1603-79-8) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxo-2-phenylacetate
Also Known As: ETHYL BENZOYLFORMATE, Ethyl phenylglyoxylate, Ethyl 2-oxo-2-phenylacetate, Ethyl oxophenylacetate, ethylbenzoylformate
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 1603-79-8 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1=CC=CC=C1 |
| InChIKey | QKLCQKPAECHXCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl benzoylformate (CAS 1603-79-8), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: ethyl 2-oxo-2-phenylacetate.
Chemical Property Profile of Ethyl benzoylformate
Property Insights of Ethyl benzoylformate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl benzoylformate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl benzoylformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl benzoylformate has 0 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 Ethyl benzoylformate?
The CAS number of Ethyl benzoylformate is 1603-79-8.
What is the molecular formula of Ethyl benzoylformate?
The molecular formula of Ethyl benzoylformate is C10H10O3.
What is the molecular weight of Ethyl benzoylformate?
The molecular weight of Ethyl benzoylformate is 178.06 g/mol.
Where can I buy Ethyl benzoylformate?
You can request a quote for Ethyl benzoylformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl benzoylformate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl benzoylformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.