Dibutyl (difluoromethane)phosphonate
TL;DR: Dibutyl (difluoromethane)phosphonate (CAS 681-83-4) is a chemical compound with molecular formula C9H19F2O3P and molecular weight 244.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[butoxy(difluoromethyl)phosphoryl]oxybutane
Also Known As: dibutyl (difluoromethane)phosphonate, dibutyl difluoromethylphosphonate, Dibutyl P-(difluoromethyl)phosphonate, dibutyl (difluoromethyl)phosphonate, 1-[butoxy(difluoromethyl)phosphoryl]oxybutane
| Molecular Formula | C9H19F2O3P |
|---|---|
| Molecular Weight | 244.10 g/mol |
| LogP | 4.0355 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 244.10399 |
| Heavy Atoms | 15 |
| Complexity | 185.79648 |
Chemical Identifiers
| CAS Number | 681-83-4 |
|---|---|
| SMILES | CCCCOP(=O)(C(F)F)OCCCC |
Product Overview
Dibutyl (difluoromethane)phosphonate (CAS 681-83-4), with molecular formula C9H19F2O3P and molecular weight 244.10 g/mol. IUPAC: 1-[butoxy(difluoromethyl)phosphoryl]oxybutane.
Chemical Property Profile of Dibutyl (difluoromethane)phosphonate
Property Insights of Dibutyl (difluoromethane)phosphonate
The XLogP value of 4.0355 indicates that Dibutyl (difluoromethane)phosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Dibutyl (difluoromethane)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibutyl (difluoromethane)phosphonate 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 (difluoromethane)phosphonate?
The CAS number of Dibutyl (difluoromethane)phosphonate is 681-83-4.
What is the molecular formula of Dibutyl (difluoromethane)phosphonate?
The molecular formula of Dibutyl (difluoromethane)phosphonate is C9H19F2O3P.
What is the molecular weight of Dibutyl (difluoromethane)phosphonate?
The molecular weight of Dibutyl (difluoromethane)phosphonate is 244.10 g/mol.
Where can I buy Dibutyl (difluoromethane)phosphonate?
You can request a quote for Dibutyl (difluoromethane)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutyl (difluoromethane)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dibutyl (difluoromethane)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.