Ethyl 3-iso-propoxybenzoylformate
TL;DR: Ethyl 3-iso-propoxybenzoylformate (CAS 845790-54-7) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxo-2-(3-propan-2-yloxyphenyl)acetate
Also Known As: Ethyl 3-iso-propoxybenzoylformate, ethyl 3-isopropoxybenzoylformate, Ethyl3-iso-propoxybenzoylformate, (3-isopropoxyphenyl)oxoacetic acid ethyl ester, ethyl 2-oxo-2-(3-propan-2-yloxyphenyl)acetate
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.2196 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 409.6354 |
Chemical Identifiers
| CAS Number | 845790-54-7 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1=CC(=CC=C1)OC(C)C |
Product Overview
Ethyl 3-iso-propoxybenzoylformate (CAS 845790-54-7), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: ethyl 2-oxo-2-(3-propan-2-yloxyphenyl)acetate.
Chemical Property Profile of Ethyl 3-iso-propoxybenzoylformate
Property Insights of Ethyl 3-iso-propoxybenzoylformate
The XLogP value of 2.2196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-iso-propoxybenzoylformate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 3-iso-propoxybenzoylformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-iso-propoxybenzoylformate has 0 hydrogen bond donor(s) and 4 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 3-iso-propoxybenzoylformate?
The CAS number of Ethyl 3-iso-propoxybenzoylformate is 845790-54-7.
What is the molecular formula of Ethyl 3-iso-propoxybenzoylformate?
The molecular formula of Ethyl 3-iso-propoxybenzoylformate is C13H16O4.
What is the molecular weight of Ethyl 3-iso-propoxybenzoylformate?
The molecular weight of Ethyl 3-iso-propoxybenzoylformate is 236.10 g/mol.
Where can I buy Ethyl 3-iso-propoxybenzoylformate?
You can request a quote for Ethyl 3-iso-propoxybenzoylformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-iso-propoxybenzoylformate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-iso-propoxybenzoylformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.