Phosphoric acid, dibutyl 5,5,5-trichloropentyl ester
TL;DR: Phosphoric acid, dibutyl 5,5,5-trichloropentyl ester (CAS 814-32-4) is a chemical compound with molecular formula C13H26Cl3O4P and molecular weight 382.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl 5,5,5-trichloropentyl phosphate
Also Known As: Dibutyl trichloropentyl phosphate, dibutyl 5,5,5-trichloropentyl phosphate, dibutyl 5,5,5-trichloropentylphosphate, Phosphoric acid, dibutyl 5,5,5-trichloropentyl ester, phosphoric acid dibutyl 5,5,5-trichloropentyl ester
| Molecular Formula | C13H26Cl3O4P |
|---|---|
| Molecular Weight | 382.06 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 382.06342 |
| Heavy Atoms | 21 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 814-32-4 |
|---|---|
| SMILES | CCCCOP(=O)(OCCCC)OCCCCC(Cl)(Cl)Cl |
| InChIKey | RTCUTDYWNHOCMI-UHFFFAOYSA-N |
Product Overview
Phosphoric acid, dibutyl 5,5,5-trichloropentyl ester (CAS 814-32-4), with molecular formula C13H26Cl3O4P and molecular weight 382.06 g/mol. IUPAC: dibutyl 5,5,5-trichloropentyl phosphate.
Chemical Property Profile of Phosphoric acid, dibutyl 5,5,5-trichloropentyl ester
Property Insights of Phosphoric acid, dibutyl 5,5,5-trichloropentyl ester
The XLogP value of 4.9 indicates that Phosphoric acid, dibutyl 5,5,5-trichloropentyl 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, dibutyl 5,5,5-trichloropentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoric acid, dibutyl 5,5,5-trichloropentyl 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, dibutyl 5,5,5-trichloropentyl ester?
The CAS number of Phosphoric acid, dibutyl 5,5,5-trichloropentyl ester is 814-32-4.
What is the molecular formula of Phosphoric acid, dibutyl 5,5,5-trichloropentyl ester?
The molecular formula of Phosphoric acid, dibutyl 5,5,5-trichloropentyl ester is C13H26Cl3O4P.
What is the molecular weight of Phosphoric acid, dibutyl 5,5,5-trichloropentyl ester?
The molecular weight of Phosphoric acid, dibutyl 5,5,5-trichloropentyl ester is 382.06 g/mol.
Where can I buy Phosphoric acid, dibutyl 5,5,5-trichloropentyl ester?
You can request a quote for Phosphoric acid, dibutyl 5,5,5-trichloropentyl 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, dibutyl 5,5,5-trichloropentyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, dibutyl 5,5,5-trichloropentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.