Dibutyl propylphosphonate
TL;DR: Dibutyl propylphosphonate (CAS 4628-12-0) is a chemical compound with molecular formula C11H25O3P and molecular weight 236.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[butoxy(propyl)phosphoryl]oxybutane
Also Known As: Dibutyl propylphosphonate, Dibutyl propanephosphonate, 1-[butoxy(propyl)phosphoryl]oxybutane, Dibutyl(1-propyl)phosphonate, Phosphonic acid, propyl-, dibutyl ester
| Molecular Formula | C11H25O3P |
|---|---|
| Molecular Weight | 236.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 236.15413 |
| Heavy Atoms | 15 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 4628-12-0 |
|---|---|
| SMILES | CCCCOP(=O)(CCC)OCCCC |
| InChIKey | XCUMIEFHVASVMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibutyl propylphosphonate (CAS 4628-12-0), with molecular formula C11H25O3P and molecular weight 236.15 g/mol. IUPAC: 1-[butoxy(propyl)phosphoryl]oxybutane.
Chemical Property Profile of Dibutyl propylphosphonate
Property Insights of Dibutyl propylphosphonate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibutyl propylphosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Dibutyl propylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibutyl propylphosphonate 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 propylphosphonate?
The CAS number of Dibutyl propylphosphonate is 4628-12-0.
What is the molecular formula of Dibutyl propylphosphonate?
The molecular formula of Dibutyl propylphosphonate is C11H25O3P.
What is the molecular weight of Dibutyl propylphosphonate?
The molecular weight of Dibutyl propylphosphonate is 236.15 g/mol.
Where can I buy Dibutyl propylphosphonate?
You can request a quote for Dibutyl propylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutyl propylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dibutyl propylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.