Phosphoric acid, diethyl 9,9,9-trichlorononyl ester
TL;DR: Phosphoric acid, diethyl 9,9,9-trichlorononyl ester (CAS 41016-20-0) is a chemical compound with molecular formula C13H26Cl3O4P and molecular weight 382.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 9,9,9-trichlorononyl phosphate
Also Known As: Diethyl trichlorononyl phosphate, diethyl 9,9,9-trichlorononyl phosphate, Phosphoric acid, diethyl 9,9,9-trichlorononyl ester, Phosphoricaciddiethyl9,9,9-trichlorononylester, Phosphoric acid diethyl 9,9,9-trichlorononyl ester
| Molecular Formula | C13H26Cl3O4P |
|---|---|
| Molecular Weight | 382.06 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 382.06342 |
| Heavy Atoms | 21 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 41016-20-0 |
|---|---|
| SMILES | CCOP(=O)(OCC)OCCCCCCCCC(Cl)(Cl)Cl |
| InChIKey | ZWVOWVMXJBEWCM-UHFFFAOYSA-N |
Product Overview
Phosphoric acid, diethyl 9,9,9-trichlorononyl ester (CAS 41016-20-0), with molecular formula C13H26Cl3O4P and molecular weight 382.06 g/mol. IUPAC: diethyl 9,9,9-trichlorononyl phosphate.
Chemical Property Profile of Phosphoric acid, diethyl 9,9,9-trichlorononyl ester
Property Insights of Phosphoric acid, diethyl 9,9,9-trichlorononyl ester
The XLogP value of 5.2 indicates that Phosphoric acid, diethyl 9,9,9-trichlorononyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Phosphoric acid, diethyl 9,9,9-trichlorononyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoric acid, diethyl 9,9,9-trichlorononyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphoric acid, diethyl 9,9,9-trichlorononyl ester?
The CAS number of Phosphoric acid, diethyl 9,9,9-trichlorononyl ester is 41016-20-0.
What is the molecular formula of Phosphoric acid, diethyl 9,9,9-trichlorononyl ester?
The molecular formula of Phosphoric acid, diethyl 9,9,9-trichlorononyl ester is C13H26Cl3O4P.
What is the molecular weight of Phosphoric acid, diethyl 9,9,9-trichlorononyl ester?
The molecular weight of Phosphoric acid, diethyl 9,9,9-trichlorononyl ester is 382.06 g/mol.
Where can I buy Phosphoric acid, diethyl 9,9,9-trichlorononyl ester?
You can request a quote for Phosphoric acid, diethyl 9,9,9-trichlorononyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoric acid, diethyl 9,9,9-trichlorononyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, diethyl 9,9,9-trichlorononyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.