Phosphoric acid, 2,2-dichloroethenyl dipropyl ester
TL;DR: Phosphoric acid, 2,2-dichloroethenyl dipropyl ester (CAS 71-98-7) is a chemical compound with molecular formula C8H15Cl2O4P and molecular weight 276.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloroethenyl dipropyl phosphate
Also Known As: 2,2-Dichlorovinyl dipropyl phosphate, 2,2-dichloroethenyl dipropyl phosphate, Phosphoric acid, 2,2-dichloroethenyl dipropyl ester, Phosphoric acid, 2,2-dichlorovinyl dipropyl ester, di-n-propyl-2,2-dichlorovinyl phosphate
| Molecular Formula | C8H15Cl2O4P |
|---|---|
| Molecular Weight | 276.01 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 276.0085 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 71-98-7 |
|---|---|
| SMILES | CCCOP(=O)(OCCC)OC=C(Cl)Cl |
| InChIKey | OBUPKOWLJDGPFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphoric acid, 2,2-dichloroethenyl dipropyl ester (CAS 71-98-7), with molecular formula C8H15Cl2O4P and molecular weight 276.01 g/mol. IUPAC: 2,2-dichloroethenyl dipropyl phosphate.
Chemical Property Profile of Phosphoric acid, 2,2-dichloroethenyl dipropyl ester
Property Insights of Phosphoric acid, 2,2-dichloroethenyl dipropyl ester
The XLogP value of 3.2 indicates that Phosphoric acid, 2,2-dichloroethenyl dipropyl 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-dichloroethenyl dipropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoric acid, 2,2-dichloroethenyl dipropyl ester has 0 hydrogen bond donor(s) and 4 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 Phosphoric acid, 2,2-dichloroethenyl dipropyl ester?
The CAS number of Phosphoric acid, 2,2-dichloroethenyl dipropyl ester is 71-98-7.
What is the molecular formula of Phosphoric acid, 2,2-dichloroethenyl dipropyl ester?
The molecular formula of Phosphoric acid, 2,2-dichloroethenyl dipropyl ester is C8H15Cl2O4P.
What is the molecular weight of Phosphoric acid, 2,2-dichloroethenyl dipropyl ester?
The molecular weight of Phosphoric acid, 2,2-dichloroethenyl dipropyl ester is 276.01 g/mol.
Where can I buy Phosphoric acid, 2,2-dichloroethenyl dipropyl ester?
You can request a quote for Phosphoric acid, 2,2-dichloroethenyl dipropyl 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-dichloroethenyl dipropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, 2,2-dichloroethenyl dipropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.