1-(Diethoxyphosphoryl)butyl acetate
TL;DR: 1-(Diethoxyphosphoryl)butyl acetate (CAS 40568-81-8) is a chemical compound with molecular formula C10H21O5P and molecular weight 252.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diethoxyphosphorylbutyl acetate
Also Known As: 1-(diethoxyphosphoryl)butyl acetate, 1-diethoxyphosphorylbutyl acetate, diethyl 1-acetyloxybutylphosphonate, diethyl 1-acetoxybutylphosphonate, RefChem:226492
| Molecular Formula | C10H21O5P |
|---|---|
| Molecular Weight | 252.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 252.11266 |
| Heavy Atoms | 16 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 40568-81-8 |
|---|---|
| SMILES | CCCC(OC(=O)C)P(=O)(OCC)OCC |
| InChIKey | AOJGLFYWZWHGFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Diethoxyphosphoryl)butyl acetate (CAS 40568-81-8), with molecular formula C10H21O5P and molecular weight 252.11 g/mol. IUPAC: 1-diethoxyphosphorylbutyl acetate.
Chemical Property Profile of 1-(Diethoxyphosphoryl)butyl acetate
Property Insights of 1-(Diethoxyphosphoryl)butyl acetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Diethoxyphosphoryl)butyl acetate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Diethoxyphosphoryl)butyl acetate. Following Lipinski's Rule of Five, 1-(Diethoxyphosphoryl)butyl acetate has 0 hydrogen bond donor(s) and 5 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 1-(Diethoxyphosphoryl)butyl acetate?
The CAS number of 1-(Diethoxyphosphoryl)butyl acetate is 40568-81-8.
What is the molecular formula of 1-(Diethoxyphosphoryl)butyl acetate?
The molecular formula of 1-(Diethoxyphosphoryl)butyl acetate is C10H21O5P.
What is the molecular weight of 1-(Diethoxyphosphoryl)butyl acetate?
The molecular weight of 1-(Diethoxyphosphoryl)butyl acetate is 252.11 g/mol.
Where can I buy 1-(Diethoxyphosphoryl)butyl acetate?
You can request a quote for 1-(Diethoxyphosphoryl)butyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Diethoxyphosphoryl)butyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-(Diethoxyphosphoryl)butyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.