Heptanoic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate
TL;DR: Heptanoic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate (CAS 69352-41-6) is a chemical compound with molecular formula C13H24Cl3O5P and molecular weight 396.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[diethoxy-(2,2,2-trichloro-1-hydroxyethylidene)-λ5-phosphanyl] heptanoate
Also Known As: O,O-Diethyl 2,2,2-trichloro-1-heptanoyloxyethyl phosphonate, [diethoxy-(2,2,2-trichloro-1-hydroxyethylidene), HEPTANOIC ACID, ESTER with DIETHYL (2,2,2-TRICHLORO-1-HYDROXYETHYL)PHOSPHONATE, [diethoxy-(2,2,2-trichloro-1-hydroxyethylidene)-, Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, diethyl ester, heptanoate
| Molecular Formula | C13H24Cl3O5P |
|---|---|
| Molecular Weight | 396.04 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 396.0427 |
| Heavy Atoms | 22 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 69352-41-6 |
|---|---|
| SMILES | CCCCCCC(=O)OP(=C(C(Cl)(Cl)Cl)O)(OCC)OCC |
| InChIKey | VYCFDUGAFKPHIY-UHFFFAOYSA-N |
Product Overview
Heptanoic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate (CAS 69352-41-6), with molecular formula C13H24Cl3O5P and molecular weight 396.04 g/mol. IUPAC: [diethoxy-(2,2,2-trichloro-1-hydroxyethylidene)-λ5-phosphanyl] heptanoate.
Chemical Property Profile of Heptanoic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate
Property Insights of Heptanoic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate
The XLogP value of 4.3 indicates that Heptanoic 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 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Heptanoic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate. Following Lipinski's Rule of Five, Heptanoic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate has 1 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 Heptanoic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate?
The CAS number of Heptanoic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate is 69352-41-6.
What is the molecular formula of Heptanoic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate?
The molecular formula of Heptanoic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate is C13H24Cl3O5P.
What is the molecular weight of Heptanoic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate?
The molecular weight of Heptanoic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate is 396.04 g/mol.
Where can I buy Heptanoic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate?
You can request a quote for Heptanoic 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 Heptanoic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Heptanoic 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.