Diethyl (2-methyl-3-oxopentyl)phosphonate
TL;DR: Diethyl (2-methyl-3-oxopentyl)phosphonate (CAS 16965-90-5) is a chemical compound with molecular formula C10H21O4P and molecular weight 236.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diethoxyphosphoryl-2-methylpentan-3-one
Also Known As: 1-diethoxyphosphoryl-2-methylpentan-3-one, DIETHYL (2-METHYL-3-OXOPENTYL)PHOSPHONATE, J1.564.906B, 2-Methyl-3-oxopentylphosphonic acid diethyl ester, Phosphonic acid,(2-methyl-3-oxopentyl)-, diethyl ester (8CI,9CI)
| Molecular Formula | C10H21O4P |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 236.11775 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 16965-90-5 |
|---|---|
| SMILES | CCC(=O)C(C)CP(=O)(OCC)OCC |
| InChIKey | OGMGGZDSGNTUOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl (2-methyl-3-oxopentyl)phosphonate (CAS 16965-90-5), with molecular formula C10H21O4P and molecular weight 236.12 g/mol. IUPAC: 1-diethoxyphosphoryl-2-methylpentan-3-one.
Chemical Property Profile of Diethyl (2-methyl-3-oxopentyl)phosphonate
Property Insights of Diethyl (2-methyl-3-oxopentyl)phosphonate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (2-methyl-3-oxopentyl)phosphonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl (2-methyl-3-oxopentyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl (2-methyl-3-oxopentyl)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 (2-methyl-3-oxopentyl)phosphonate?
The CAS number of Diethyl (2-methyl-3-oxopentyl)phosphonate is 16965-90-5.
What is the molecular formula of Diethyl (2-methyl-3-oxopentyl)phosphonate?
The molecular formula of Diethyl (2-methyl-3-oxopentyl)phosphonate is C10H21O4P.
What is the molecular weight of Diethyl (2-methyl-3-oxopentyl)phosphonate?
The molecular weight of Diethyl (2-methyl-3-oxopentyl)phosphonate is 236.12 g/mol.
Where can I buy Diethyl (2-methyl-3-oxopentyl)phosphonate?
You can request a quote for Diethyl (2-methyl-3-oxopentyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (2-methyl-3-oxopentyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (2-methyl-3-oxopentyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.