Diethyl 2-oxo-4-phenylbutylphosphonate
TL;DR: Diethyl 2-oxo-4-phenylbutylphosphonate (CAS 40601-45-4) is a chemical compound with molecular formula C14H21O4P and molecular weight 284.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diethoxyphosphoryl-4-phenylbutan-2-one
Also Known As: Diethyl 2-oxo-4-phenylbutylphosphonate, 1-diethoxyphosphoryl-4-phenylbutan-2-one, Diethyl (2-oxo-4-phenylbutyl)phosphonate, 1-diethoxyphosphoryl-4-phenyl-butan-2-one, Phosphonic acid,P-(2-oxo-4-phenylbutyl)-, diethyl ester
| Molecular Formula | C14H21O4P |
|---|---|
| Molecular Weight | 284.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 284.11774 |
| Heavy Atoms | 19 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 40601-45-4 |
|---|---|
| SMILES | CCOP(=O)(CC(=O)CCC1=CC=CC=C1)OCC |
| InChIKey | OPUBZGIAZKLPDK-UHFFFAOYSA-N |
Product Overview
Diethyl 2-oxo-4-phenylbutylphosphonate (CAS 40601-45-4), with molecular formula C14H21O4P and molecular weight 284.12 g/mol. IUPAC: 1-diethoxyphosphoryl-4-phenylbutan-2-one.
Chemical Property Profile of Diethyl 2-oxo-4-phenylbutylphosphonate
Property Insights of Diethyl 2-oxo-4-phenylbutylphosphonate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-oxo-4-phenylbutylphosphonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 2-oxo-4-phenylbutylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-oxo-4-phenylbutylphosphonate 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 Diethyl 2-oxo-4-phenylbutylphosphonate?
The CAS number of Diethyl 2-oxo-4-phenylbutylphosphonate is 40601-45-4.
What is the molecular formula of Diethyl 2-oxo-4-phenylbutylphosphonate?
The molecular formula of Diethyl 2-oxo-4-phenylbutylphosphonate is C14H21O4P.
What is the molecular weight of Diethyl 2-oxo-4-phenylbutylphosphonate?
The molecular weight of Diethyl 2-oxo-4-phenylbutylphosphonate is 284.12 g/mol.
Where can I buy Diethyl 2-oxo-4-phenylbutylphosphonate?
You can request a quote for Diethyl 2-oxo-4-phenylbutylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-oxo-4-phenylbutylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-oxo-4-phenylbutylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.