Diethyl hexanoylphosphonate
TL;DR: Diethyl hexanoylphosphonate (CAS 10395-02-5) 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-diethoxyphosphorylhexan-1-one
Also Known As: diethyl hexanoylphosphonate, 1-diethoxyphosphorylhexan-1-one, Hexanoylphosphonic acid diethyl ester, J1.624.602F
| Molecular Formula | C10H21O4P |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 236.11775 |
| Heavy Atoms | 15 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 10395-02-5 |
|---|---|
| SMILES | CCCCCC(=O)P(=O)(OCC)OCC |
| InChIKey | KFIOCMNDARJBIZ-UHFFFAOYSA-N |
Product Overview
Diethyl hexanoylphosphonate (CAS 10395-02-5), with molecular formula C10H21O4P and molecular weight 236.12 g/mol. IUPAC: 1-diethoxyphosphorylhexan-1-one.
Chemical Property Profile of Diethyl hexanoylphosphonate
Property Insights of Diethyl hexanoylphosphonate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl hexanoylphosphonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl hexanoylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl hexanoylphosphonate 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 hexanoylphosphonate?
The CAS number of Diethyl hexanoylphosphonate is 10395-02-5.
What is the molecular formula of Diethyl hexanoylphosphonate?
The molecular formula of Diethyl hexanoylphosphonate is C10H21O4P.
What is the molecular weight of Diethyl hexanoylphosphonate?
The molecular weight of Diethyl hexanoylphosphonate is 236.12 g/mol.
Where can I buy Diethyl hexanoylphosphonate?
You can request a quote for Diethyl hexanoylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl hexanoylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl hexanoylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.