Propionic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate
TL;DR: Propionic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate (CAS 69440-58-0) is a chemical compound with molecular formula C9H16Cl3O5P and molecular weight 339.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,2-trichloro-1-diethoxyphosphorylethyl) propanoate
Also Known As: 4-02-00-00720 (Beilstein Handbook Reference), O,O-Diethyl 2,2,2-trichloro-1-propionyloxyethyl phosphonate, (2,2,2-trichloro-1-diethoxyphosphorylethyl) propanoate, Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, diethyl ester, propionate, Propionic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate
| Molecular Formula | C9H16Cl3O5P |
|---|---|
| Molecular Weight | 339.98 g/mol |
| LogP | 3.902 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 339.9801 |
| Heavy Atoms | 18 |
| Complexity | 307.8152 |
Chemical Identifiers
| CAS Number | 69440-58-0 |
|---|---|
| SMILES | CCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OCC)OCC |
Product Overview
Propionic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate (CAS 69440-58-0), with molecular formula C9H16Cl3O5P and molecular weight 339.98 g/mol. IUPAC: (2,2,2-trichloro-1-diethoxyphosphorylethyl) propanoate.
Chemical Property Profile of Propionic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate
Property Insights of Propionic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate
The XLogP value of 3.902 indicates that Propionic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Propionic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate. Following Lipinski's Rule of Five, Propionic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate 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 Propionic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate?
The CAS number of Propionic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate is 69440-58-0.
What is the molecular formula of Propionic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate?
The molecular formula of Propionic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate is C9H16Cl3O5P.
What is the molecular weight of Propionic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate?
The molecular weight of Propionic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate is 339.98 g/mol.
Where can I buy Propionic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate?
You can request a quote for Propionic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propionic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Propionic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.