Dibutyl pentachlorophenyl phosphate
TL;DR: Dibutyl pentachlorophenyl phosphate (CAS 1440-94-4) is a chemical compound with molecular formula C14H18Cl5O4P and molecular weight 455.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl (2,3,4,5,6-pentachlorophenyl) phosphate
Also Known As: Dibutyl pentachlorophenyl phosphate, dibutyl (2,3,4,5,6-pentachlorophenyl) phosphate, RefChem:337358
| Molecular Formula | C14H18Cl5O4P |
|---|---|
| Molecular Weight | 455.94 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 455.93854 |
| Heavy Atoms | 24 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 1440-94-4 |
|---|---|
| SMILES | CCCCOP(=O)(OCCCC)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl |
| InChIKey | NCHKIRWAXHKWSQ-UHFFFAOYSA-N |
Product Overview
Dibutyl pentachlorophenyl phosphate (CAS 1440-94-4), with molecular formula C14H18Cl5O4P and molecular weight 455.94 g/mol. IUPAC: dibutyl (2,3,4,5,6-pentachlorophenyl) phosphate.
Chemical Property Profile of Dibutyl pentachlorophenyl phosphate
Property Insights of Dibutyl pentachlorophenyl phosphate
The XLogP value of 7.0 indicates that Dibutyl pentachlorophenyl 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, Dibutyl pentachlorophenyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibutyl pentachlorophenyl phosphate 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 Dibutyl pentachlorophenyl phosphate?
The CAS number of Dibutyl pentachlorophenyl phosphate is 1440-94-4.
What is the molecular formula of Dibutyl pentachlorophenyl phosphate?
The molecular formula of Dibutyl pentachlorophenyl phosphate is C14H18Cl5O4P.
What is the molecular weight of Dibutyl pentachlorophenyl phosphate?
The molecular weight of Dibutyl pentachlorophenyl phosphate is 455.94 g/mol.
Where can I buy Dibutyl pentachlorophenyl phosphate?
You can request a quote for Dibutyl pentachlorophenyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutyl pentachlorophenyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Dibutyl pentachlorophenyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.