Diethyl 1,1,3,3,3-pentachloroprop-1-en-2-yl phosphate
TL;DR: Diethyl 1,1,3,3,3-pentachloroprop-1-en-2-yl phosphate (CAS 52925-84-5) is a chemical compound with molecular formula C7H10Cl5O4P and molecular weight 363.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1,1,3,3,3-pentachloroprop-1-en-2-yl phosphate
Also Known As: WBXNZQKPPIDPJP-UHFFFAOYSA-, diethyl 1,1,3,3,3-pentachloroprop-1-en-2-yl phosphate, InChI=1/C7H10Cl5O4P/c1-3-14-17(13,15-4-2)16-5(6(8)9)7(10,11)12/h3-4H2,1-2H3
| Molecular Formula | C7H10Cl5O4P |
|---|---|
| Molecular Weight | 363.88 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.87595 |
| Heavy Atoms | 17 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 52925-84-5 |
|---|---|
| SMILES | CCOP(=O)(OCC)OC(=C(Cl)Cl)C(Cl)(Cl)Cl |
| InChIKey | WBXNZQKPPIDPJP-UHFFFAOYSA-N |
Product Overview
Diethyl 1,1,3,3,3-pentachloroprop-1-en-2-yl phosphate (CAS 52925-84-5), with molecular formula C7H10Cl5O4P and molecular weight 363.88 g/mol. IUPAC: diethyl 1,1,3,3,3-pentachloroprop-1-en-2-yl phosphate.
Chemical Property Profile of Diethyl 1,1,3,3,3-pentachloroprop-1-en-2-yl phosphate
Property Insights of Diethyl 1,1,3,3,3-pentachloroprop-1-en-2-yl phosphate
The XLogP value of 3.7 indicates that Diethyl 1,1,3,3,3-pentachloroprop-1-en-2-yl phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Diethyl 1,1,3,3,3-pentachloroprop-1-en-2-yl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 1,1,3,3,3-pentachloroprop-1-en-2-yl phosphate 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 Diethyl 1,1,3,3,3-pentachloroprop-1-en-2-yl phosphate?
The CAS number of Diethyl 1,1,3,3,3-pentachloroprop-1-en-2-yl phosphate is 52925-84-5.
What is the molecular formula of Diethyl 1,1,3,3,3-pentachloroprop-1-en-2-yl phosphate?
The molecular formula of Diethyl 1,1,3,3,3-pentachloroprop-1-en-2-yl phosphate is C7H10Cl5O4P.
What is the molecular weight of Diethyl 1,1,3,3,3-pentachloroprop-1-en-2-yl phosphate?
The molecular weight of Diethyl 1,1,3,3,3-pentachloroprop-1-en-2-yl phosphate is 363.88 g/mol.
Where can I buy Diethyl 1,1,3,3,3-pentachloroprop-1-en-2-yl phosphate?
You can request a quote for Diethyl 1,1,3,3,3-pentachloroprop-1-en-2-yl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 1,1,3,3,3-pentachloroprop-1-en-2-yl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 1,1,3,3,3-pentachloroprop-1-en-2-yl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.