Phosphonic acid, (5,5,5-trichloropentyl)-, diethyl ester
TL;DR: Phosphonic acid, (5,5,5-trichloropentyl)-, diethyl ester (CAS 62439-77-4) is a chemical compound with molecular formula C9H18Cl3O3P and molecular weight 310.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trichloro-5-diethoxyphosphorylpentane
Also Known As: (5,5,5-Trichloropentyl)phosphonic acid diethyl ester, Phosphonic acid, (5,5,5-trichloropentyl)-, diethyl ester, 1,1,1-trichloro-5-diethoxyphosphorylpentane, Diethyl (5,5,5-trichloropentyl)phosphonate, RefChem:370501
| Molecular Formula | C9H18Cl3O3P |
|---|---|
| Molecular Weight | 310.01 g/mol |
| LogP | 4.793 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 310.00592 |
| Heavy Atoms | 16 |
| Complexity | 220.52933 |
Chemical Identifiers
| CAS Number | 62439-77-4 |
|---|---|
| SMILES | CCOP(=O)(CCCCC(Cl)(Cl)Cl)OCC |
Product Overview
Phosphonic acid, (5,5,5-trichloropentyl)-, diethyl ester (CAS 62439-77-4), with molecular formula C9H18Cl3O3P and molecular weight 310.01 g/mol. IUPAC: 1,1,1-trichloro-5-diethoxyphosphorylpentane.
Chemical Property Profile of Phosphonic acid, (5,5,5-trichloropentyl)-, diethyl ester
Property Insights of Phosphonic acid, (5,5,5-trichloropentyl)-, diethyl ester
The XLogP value of 4.793 indicates that Phosphonic acid, (5,5,5-trichloropentyl)-, diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Phosphonic acid, (5,5,5-trichloropentyl)-, diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, (5,5,5-trichloropentyl)-, diethyl ester has 0 hydrogen bond donor(s) and 3 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, (5,5,5-trichloropentyl)-, diethyl ester?
The CAS number of Phosphonic acid, (5,5,5-trichloropentyl)-, diethyl ester is 62439-77-4.
What is the molecular formula of Phosphonic acid, (5,5,5-trichloropentyl)-, diethyl ester?
The molecular formula of Phosphonic acid, (5,5,5-trichloropentyl)-, diethyl ester is C9H18Cl3O3P.
What is the molecular weight of Phosphonic acid, (5,5,5-trichloropentyl)-, diethyl ester?
The molecular weight of Phosphonic acid, (5,5,5-trichloropentyl)-, diethyl ester is 310.01 g/mol.
Where can I buy Phosphonic acid, (5,5,5-trichloropentyl)-, diethyl ester?
You can request a quote for Phosphonic acid, (5,5,5-trichloropentyl)-, 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, (5,5,5-trichloropentyl)-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, (5,5,5-trichloropentyl)-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.