Propionic acid, ester with dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate
TL;DR: Propionic acid, ester with dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate (CAS 4414-11-3) is a chemical compound with molecular formula C7H12Cl3O5P and molecular weight 311.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,2-trichloro-1-dimethoxyphosphorylethyl) propanoate
Also Known As: Propionyl dipterox, Dipterox, propionyl-, (2,2,2-trichloro-1-dimethoxyphosphorylethyl) propanoate, 2,2,2-trichloro-1-(dimethoxyphosphoryl)ethyl propanoate, 4-02-00-00720 (Beilstein Handbook Reference)
| Molecular Formula | C7H12Cl3O5P |
|---|---|
| Molecular Weight | 311.95 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.9488 |
| Heavy Atoms | 16 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 4414-11-3 |
|---|---|
| SMILES | CCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC |
| InChIKey | HKAFBRGXWBLSBS-UHFFFAOYSA-N |
Product Overview
Propionic acid, ester with dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate (CAS 4414-11-3), with molecular formula C7H12Cl3O5P and molecular weight 311.95 g/mol. IUPAC: (2,2,2-trichloro-1-dimethoxyphosphorylethyl) propanoate.
Chemical Property Profile of Propionic acid, ester with dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate
Property Insights of Propionic acid, ester with dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propionic acid, ester with dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Propionic acid, ester with dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate. Following Lipinski's Rule of Five, Propionic acid, ester with dimethyl (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 dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate?
The CAS number of Propionic acid, ester with dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate is 4414-11-3.
What is the molecular formula of Propionic acid, ester with dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate?
The molecular formula of Propionic acid, ester with dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate is C7H12Cl3O5P.
What is the molecular weight of Propionic acid, ester with dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate?
The molecular weight of Propionic acid, ester with dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate is 311.95 g/mol.
Where can I buy Propionic acid, ester with dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate?
You can request a quote for Propionic acid, ester with dimethyl (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 dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Propionic acid, ester with dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.