2,4,4-Trichlorobutadienyl diethyl phosphate
TL;DR: 2,4,4-Trichlorobutadienyl diethyl phosphate (CAS 67910-49-0) is a chemical compound with molecular formula C8H12Cl3O4P and molecular weight 307.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,4,4-trichlorobuta-1,3-dienyl phosphate
Also Known As: 2,4,4-trichlorobutadienyl diethyl phosphate, Diethyl 2,4,4-trichloro-1,3-butadien-1-yl phosphate, diethyl 2,4,4-trichlorobuta-1,3-dien-1-yl phosphate, (3Z)-1,1,3-trichloro-4-diethoxyphosphoryloxy-buta-1,3-diene
| Molecular Formula | C8H12Cl3O4P |
|---|---|
| Molecular Weight | 307.95 g/mol |
| LogP | 4.5833 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 307.9539 |
| Heavy Atoms | 16 |
| Complexity | 302.40527 |
Chemical Identifiers
| CAS Number | 67910-49-0 |
|---|---|
| SMILES | CCOP(=O)(OCC)OC=C(C=C(Cl)Cl)Cl |
Product Overview
2,4,4-Trichlorobutadienyl diethyl phosphate (CAS 67910-49-0), with molecular formula C8H12Cl3O4P and molecular weight 307.95 g/mol. IUPAC: diethyl 2,4,4-trichlorobuta-1,3-dienyl phosphate.
Chemical Property Profile of 2,4,4-Trichlorobutadienyl diethyl phosphate
Property Insights of 2,4,4-Trichlorobutadienyl diethyl phosphate
The XLogP value of 4.5833 indicates that 2,4,4-Trichlorobutadienyl diethyl phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, 2,4,4-Trichlorobutadienyl diethyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,4-Trichlorobutadienyl diethyl 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 2,4,4-Trichlorobutadienyl diethyl phosphate?
The CAS number of 2,4,4-Trichlorobutadienyl diethyl phosphate is 67910-49-0.
What is the molecular formula of 2,4,4-Trichlorobutadienyl diethyl phosphate?
The molecular formula of 2,4,4-Trichlorobutadienyl diethyl phosphate is C8H12Cl3O4P.
What is the molecular weight of 2,4,4-Trichlorobutadienyl diethyl phosphate?
The molecular weight of 2,4,4-Trichlorobutadienyl diethyl phosphate is 307.95 g/mol.
Where can I buy 2,4,4-Trichlorobutadienyl diethyl phosphate?
You can request a quote for 2,4,4-Trichlorobutadienyl diethyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,4-Trichlorobutadienyl diethyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for 2,4,4-Trichlorobutadienyl diethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.