Phosphoric acid, 2,2-dichloroethyl diheptyl ester
TL;DR: Phosphoric acid, 2,2-dichloroethyl diheptyl ester (CAS 5329-53-3) is a chemical compound with molecular formula C16H31Cl2O4P and molecular weight 388.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloroethenyl diheptyl phosphate
Also Known As: 2,2-Dichlorovinyl diheptyl phosphate, 2,2-dichloroethenyl diheptyl phosphate, Phosphoric acid, 2,2-dichloroethyl diheptyl ester, Phosphoric acid, 2,2-dichlorovinyl diheptyl ester, 2,2-Dichloroethen-1-yl diheptyl phosphate
| Molecular Formula | C16H31Cl2O4P |
|---|---|
| Molecular Weight | 388.13 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 388.1337 |
| Heavy Atoms | 23 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 5329-53-3 |
|---|---|
| SMILES | CCCCCCCOP(=O)(OCCCCCCC)OC=C(Cl)Cl |
| InChIKey | DDOWREKAYZFHMH-UHFFFAOYSA-N |
Product Overview
Phosphoric acid, 2,2-dichloroethyl diheptyl ester (CAS 5329-53-3), with molecular formula C16H31Cl2O4P and molecular weight 388.13 g/mol. IUPAC: 2,2-dichloroethenyl diheptyl phosphate.
Chemical Property Profile of Phosphoric acid, 2,2-dichloroethyl diheptyl ester
Property Insights of Phosphoric acid, 2,2-dichloroethyl diheptyl ester
The XLogP value of 7.1 indicates that Phosphoric acid, 2,2-dichloroethyl diheptyl 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, 2,2-dichloroethyl diheptyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoric acid, 2,2-dichloroethyl diheptyl 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, 2,2-dichloroethyl diheptyl ester?
The CAS number of Phosphoric acid, 2,2-dichloroethyl diheptyl ester is 5329-53-3.
What is the molecular formula of Phosphoric acid, 2,2-dichloroethyl diheptyl ester?
The molecular formula of Phosphoric acid, 2,2-dichloroethyl diheptyl ester is C16H31Cl2O4P.
What is the molecular weight of Phosphoric acid, 2,2-dichloroethyl diheptyl ester?
The molecular weight of Phosphoric acid, 2,2-dichloroethyl diheptyl ester is 388.13 g/mol.
Where can I buy Phosphoric acid, 2,2-dichloroethyl diheptyl ester?
You can request a quote for Phosphoric acid, 2,2-dichloroethyl diheptyl 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, 2,2-dichloroethyl diheptyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, 2,2-dichloroethyl diheptyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.