Tris(4-chlorobutyl) phosphate
TL;DR: Tris(4-chlorobutyl) phosphate (CAS 27273-73-0) is a chemical compound with molecular formula C12H24Cl3O4P and molecular weight 368.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(4-chlorobutyl) phosphate
Also Known As: tris(4-chlorobutyl) phosphate, 1-Butanol, chloro-, phosphate (3:1), 1-[bis(4-chlorobutoxy)phosphoryloxy]-4-chloro-butane
| Molecular Formula | C12H24Cl3O4P |
|---|---|
| Molecular Weight | 368.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 368.0478 |
| Heavy Atoms | 20 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 27273-73-0 |
|---|---|
| SMILES | C(CCCl)COP(=O)(OCCCCCl)OCCCCCl |
| InChIKey | CEXHKTUOSYGQOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tris(4-chlorobutyl) phosphate (CAS 27273-73-0), with molecular formula C12H24Cl3O4P and molecular weight 368.05 g/mol. IUPAC: tris(4-chlorobutyl) phosphate.
Chemical Property Profile of Tris(4-chlorobutyl) phosphate
Property Insights of Tris(4-chlorobutyl) phosphate
The XLogP value of 3.1 indicates that Tris(4-chlorobutyl) 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, Tris(4-chlorobutyl) phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tris(4-chlorobutyl) 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 Tris(4-chlorobutyl) phosphate?
The CAS number of Tris(4-chlorobutyl) phosphate is 27273-73-0.
What is the molecular formula of Tris(4-chlorobutyl) phosphate?
The molecular formula of Tris(4-chlorobutyl) phosphate is C12H24Cl3O4P.
What is the molecular weight of Tris(4-chlorobutyl) phosphate?
The molecular weight of Tris(4-chlorobutyl) phosphate is 368.05 g/mol.
Where can I buy Tris(4-chlorobutyl) phosphate?
You can request a quote for Tris(4-chlorobutyl) phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tris(4-chlorobutyl) phosphate?
Yes, KEHONG BIO provides custom synthesis services for Tris(4-chlorobutyl) phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.