Phosphonic acid, (3-methylene-2-oxopentyl)-, diethyl ester
TL;DR: Phosphonic acid, (3-methylene-2-oxopentyl)-, diethyl ester (CAS 54543-03-2) is a chemical compound with molecular formula C10H19O4P and molecular weight 234.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diethoxyphosphoryl-3-methylidenepentan-2-one
Also Known As: Diethyl 3-ethyl-2-oxo-3-butenylphosphonate, diethyl (3-methylene-2-oxopentyl)phosphonate, Diethyl 3-ethyl-2-oxo-3-butenylphosphonate #, 1-diethoxyphosphoryl-3-methylidenepentan-2-one, diethyl (3-methylidene-2-oxopentyl)phosphonate
| Molecular Formula | C10H19O4P |
|---|---|
| Molecular Weight | 234.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 234.1021 |
| Heavy Atoms | 15 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 54543-03-2 |
|---|---|
| SMILES | CCC(=C)C(=O)CP(=O)(OCC)OCC |
| InChIKey | MUXRXFPENJHMQD-UHFFFAOYSA-N |
Product Overview
Phosphonic acid, (3-methylene-2-oxopentyl)-, diethyl ester (CAS 54543-03-2), with molecular formula C10H19O4P and molecular weight 234.10 g/mol. IUPAC: 1-diethoxyphosphoryl-3-methylidenepentan-2-one.
Chemical Property Profile of Phosphonic acid, (3-methylene-2-oxopentyl)-, diethyl ester
Property Insights of Phosphonic acid, (3-methylene-2-oxopentyl)-, diethyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, (3-methylene-2-oxopentyl)-, diethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Phosphonic acid, (3-methylene-2-oxopentyl)-, diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, (3-methylene-2-oxopentyl)-, diethyl ester 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 Phosphonic acid, (3-methylene-2-oxopentyl)-, diethyl ester?
The CAS number of Phosphonic acid, (3-methylene-2-oxopentyl)-, diethyl ester is 54543-03-2.
What is the molecular formula of Phosphonic acid, (3-methylene-2-oxopentyl)-, diethyl ester?
The molecular formula of Phosphonic acid, (3-methylene-2-oxopentyl)-, diethyl ester is C10H19O4P.
What is the molecular weight of Phosphonic acid, (3-methylene-2-oxopentyl)-, diethyl ester?
The molecular weight of Phosphonic acid, (3-methylene-2-oxopentyl)-, diethyl ester is 234.10 g/mol.
Where can I buy Phosphonic acid, (3-methylene-2-oxopentyl)-, diethyl ester?
You can request a quote for Phosphonic acid, (3-methylene-2-oxopentyl)-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, (3-methylene-2-oxopentyl)-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, (3-methylene-2-oxopentyl)-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.