Dibutyl methylphosphonate
TL;DR: Dibutyl methylphosphonate (CAS 2404-73-1) is a chemical compound with molecular formula C9H21O3P and molecular weight 208.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[butoxy(methyl)phosphoryl]oxybutane
Also Known As: DIBUTYL METHYLPHOSPHONATE, DBMP, Dibutylmethylphosphonate, Dibutyl methanephosphonate, 1-[butoxy(methyl)phosphoryl]oxybutane
| Molecular Formula | C9H21O3P |
|---|---|
| Molecular Weight | 208.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 208.12283 |
| Heavy Atoms | 13 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 2404-73-1 |
|---|---|
| SMILES | CCCCOP(=O)(C)OCCCC |
| InChIKey | NPNBLTJGRBYCJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibutyl methylphosphonate (CAS 2404-73-1), with molecular formula C9H21O3P and molecular weight 208.12 g/mol. IUPAC: 1-[butoxy(methyl)phosphoryl]oxybutane.
Chemical Property Profile of Dibutyl methylphosphonate
Property Insights of Dibutyl methylphosphonate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibutyl methylphosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Dibutyl methylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibutyl methylphosphonate 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 methylphosphonate?
The CAS number of Dibutyl methylphosphonate is 2404-73-1.
What is the molecular formula of Dibutyl methylphosphonate?
The molecular formula of Dibutyl methylphosphonate is C9H21O3P.
What is the molecular weight of Dibutyl methylphosphonate?
The molecular weight of Dibutyl methylphosphonate is 208.12 g/mol.
Where can I buy Dibutyl methylphosphonate?
You can request a quote for Dibutyl methylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutyl methylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dibutyl methylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.