Dibutyl butylphosphonate
TL;DR: Dibutyl butylphosphonate (CAS 78-46-6) is a chemical compound with molecular formula C12H27O3P and molecular weight 250.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[butoxy(butyl)phosphoryl]oxybutane
Also Known As: DIBUTYL BUTYLPHOSPHONATE, Dibutyl butanephosphonate, tributylphosphite, Dibutylbutylphosphonate, DBBP compound
| Molecular Formula | C12H27O3P |
|---|---|
| Molecular Weight | 250.17 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 250.16978 |
| Heavy Atoms | 16 |
| Complexity | 181.0 |
| Boiling Point | 127-128 °C @ 2.5 MM HG |
| Density | 0.948 @ 20 °C |
| Solubility | INSOL IN WATER; MISCIBLE WITH MOST COMMON ORG SOLVENTS |
| Flash Point | 154.4 °C OC |
Chemical Identifiers
| CAS Number | 78-46-6 |
|---|---|
| SMILES | CCCCOP(=O)(CCCC)OCCCC |
| InChIKey | JPGXOMADPRULAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibutyl butylphosphonate (CAS 78-46-6), with molecular formula C12H27O3P and molecular weight 250.17 g/mol. IUPAC: 1-[butoxy(butyl)phosphoryl]oxybutane.
Chemical Property Profile of Dibutyl butylphosphonate
Property Insights of Dibutyl butylphosphonate
The XLogP value of 3.2 indicates that Dibutyl butylphosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Dibutyl butylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibutyl butylphosphonate 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 Dibutyl butylphosphonate?
The CAS number of Dibutyl butylphosphonate is 78-46-6.
What is the molecular formula of Dibutyl butylphosphonate?
The molecular formula of Dibutyl butylphosphonate is C12H27O3P.
What is the molecular weight of Dibutyl butylphosphonate?
The molecular weight of Dibutyl butylphosphonate is 250.17 g/mol.
Where can I buy Dibutyl butylphosphonate?
You can request a quote for Dibutyl butylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutyl butylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dibutyl butylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.