Phosphorochloridic acid, dibutyl ester
TL;DR: Phosphorochloridic acid, dibutyl ester (CAS 819-43-2) is a chemical compound with molecular formula C8H18ClO3P and molecular weight 228.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[butoxy(chloro)phosphoryl]oxybutane
Also Known As: Di-n-Butyl Phosphorochloridate, Dibutyl chlorophosphate, Phosphorochloridic acid, dibutyl ester, Dibutyl phosphorochloridate, 1-[butoxy(chloro)phosphoryl]oxybutane
| Molecular Formula | C8H18ClO3P |
|---|---|
| Molecular Weight | 228.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 228.0682 |
| Heavy Atoms | 13 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 819-43-2 |
|---|---|
| SMILES | CCCCOP(=O)(OCCCC)Cl |
| InChIKey | ZJEHRMYJNACSLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphorochloridic acid, dibutyl ester (CAS 819-43-2), with molecular formula C8H18ClO3P and molecular weight 228.07 g/mol. IUPAC: 1-[butoxy(chloro)phosphoryl]oxybutane.
Chemical Property Profile of Phosphorochloridic acid, dibutyl ester
Property Insights of Phosphorochloridic acid, dibutyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorochloridic acid, dibutyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, Phosphorochloridic acid, dibutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorochloridic acid, dibutyl ester has 0 hydrogen bond donor(s) and 3 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 Phosphorochloridic acid, dibutyl ester?
The CAS number of Phosphorochloridic acid, dibutyl ester is 819-43-2.
What is the molecular formula of Phosphorochloridic acid, dibutyl ester?
The molecular formula of Phosphorochloridic acid, dibutyl ester is C8H18ClO3P.
What is the molecular weight of Phosphorochloridic acid, dibutyl ester?
The molecular weight of Phosphorochloridic acid, dibutyl ester is 228.07 g/mol.
Where can I buy Phosphorochloridic acid, dibutyl ester?
You can request a quote for Phosphorochloridic acid, dibutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorochloridic acid, dibutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorochloridic acid, dibutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.