Butyl methyl methylphosphonate
TL;DR: Butyl methyl methylphosphonate (CAS 683-32-9) is a chemical compound with molecular formula C6H15O3P and molecular weight 166.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[methoxy(methyl)phosphoryl]oxybutane
Also Known As: Butyl methyl methylphosphonate, Phosphonic acid, methyl-, butyl methyl ester, 1-[methoxy(methyl)phosphoryl]oxybutane, Methylphosphonic acid methylbutyl ester, J1.459.461B
| Molecular Formula | C6H15O3P |
|---|---|
| Molecular Weight | 166.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 166.07588 |
| Heavy Atoms | 10 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 683-32-9 |
|---|---|
| SMILES | CCCCOP(=O)(C)OC |
| InChIKey | GGDMDPJAZASFLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl methyl methylphosphonate (CAS 683-32-9), with molecular formula C6H15O3P and molecular weight 166.08 g/mol. IUPAC: 1-[methoxy(methyl)phosphoryl]oxybutane.
Chemical Property Profile of Butyl methyl methylphosphonate
Property Insights of Butyl methyl methylphosphonate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl methyl methylphosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Butyl methyl methylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl methyl 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 Butyl methyl methylphosphonate?
The CAS number of Butyl methyl methylphosphonate is 683-32-9.
What is the molecular formula of Butyl methyl methylphosphonate?
The molecular formula of Butyl methyl methylphosphonate is C6H15O3P.
What is the molecular weight of Butyl methyl methylphosphonate?
The molecular weight of Butyl methyl methylphosphonate is 166.08 g/mol.
Where can I buy Butyl methyl methylphosphonate?
You can request a quote for Butyl methyl methylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl methyl methylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Butyl methyl methylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.