Hexanoic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate
TL;DR: Hexanoic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate (CAS 69352-43-8) is a chemical compound with molecular formula C12H22Cl3O5P and molecular weight 382.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,2-trichloro-1-diethoxyphosphorylethyl) hexanoate
Also Known As: 2,2,2-trichloro-1-(diethoxyphosphoryl)ethyl hexanoate, O,O-Diethyl 2,2,2-trichloro-1-hexanoyloxy ethyl phosphonate, Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, diethyl ester, hexanoate, (2,2,2-trichloro-1-diethoxyphosphorylethyl) hexanoate, HEXANOIC ACID, ESTER with DIETHYL (2,2,2-TRICHLORO-1-HYDROXYETHYL)PHOSPHONATE
| Molecular Formula | C12H22Cl3O5P |
|---|---|
| Molecular Weight | 382.03 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 382.02704 |
| Heavy Atoms | 21 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 69352-43-8 |
|---|---|
| SMILES | CCCCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OCC)OCC |
| InChIKey | JGUOFXYJFPYHAQ-UHFFFAOYSA-N |
Product Overview
Hexanoic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate (CAS 69352-43-8), with molecular formula C12H22Cl3O5P and molecular weight 382.03 g/mol. IUPAC: (2,2,2-trichloro-1-diethoxyphosphorylethyl) hexanoate.
Chemical Property Profile of Hexanoic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate
Property Insights of Hexanoic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate
The XLogP value of 4.0 indicates that Hexanoic 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 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexanoic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate. Following Lipinski's Rule of Five, Hexanoic 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 Hexanoic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate?
The CAS number of Hexanoic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate is 69352-43-8.
What is the molecular formula of Hexanoic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate?
The molecular formula of Hexanoic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate is C12H22Cl3O5P.
What is the molecular weight of Hexanoic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate?
The molecular weight of Hexanoic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate is 382.03 g/mol.
Where can I buy Hexanoic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate?
You can request a quote for Hexanoic 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 Hexanoic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic 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.