Diethyl (1-oxopentan-2-yl)phosphonate
TL;DR: Diethyl (1-oxopentan-2-yl)phosphonate (CAS 112292-30-5) is a chemical compound with molecular formula C9H19O4P and molecular weight 222.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diethoxyphosphorylpentanal
Also Known As: 2-diethoxyphosphorylpentanal, 2-(Diethoxyphosphinyl)pentanal, Diethyl (1-oxopentan-2-yl)phosphonate, DIETHYL 1-PROPYL-2-OXOETHYLPHOSPHONATE, Phosphonic acid,P-(1-formylbutyl)-, diethyl ester
| Molecular Formula | C9H19O4P |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | 2.6201 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 222.1021 |
| Heavy Atoms | 14 |
| Complexity | 194.98863 |
Chemical Identifiers
| CAS Number | 112292-30-5 |
|---|---|
| SMILES | CCCC(C=O)P(=O)(OCC)OCC |
Product Overview
Diethyl (1-oxopentan-2-yl)phosphonate (CAS 112292-30-5), with molecular formula C9H19O4P and molecular weight 222.10 g/mol. IUPAC: 2-diethoxyphosphorylpentanal.
Chemical Property Profile of Diethyl (1-oxopentan-2-yl)phosphonate
Property Insights of Diethyl (1-oxopentan-2-yl)phosphonate
The XLogP value of 2.6201 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (1-oxopentan-2-yl)phosphonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl (1-oxopentan-2-yl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl (1-oxopentan-2-yl)phosphonate 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 (1-oxopentan-2-yl)phosphonate?
The CAS number of Diethyl (1-oxopentan-2-yl)phosphonate is 112292-30-5.
What is the molecular formula of Diethyl (1-oxopentan-2-yl)phosphonate?
The molecular formula of Diethyl (1-oxopentan-2-yl)phosphonate is C9H19O4P.
What is the molecular weight of Diethyl (1-oxopentan-2-yl)phosphonate?
The molecular weight of Diethyl (1-oxopentan-2-yl)phosphonate is 222.10 g/mol.
Where can I buy Diethyl (1-oxopentan-2-yl)phosphonate?
You can request a quote for Diethyl (1-oxopentan-2-yl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (1-oxopentan-2-yl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (1-oxopentan-2-yl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.