Bis(1-methylpropyl) phosphorofluoridate
TL;DR: Bis(1-methylpropyl) phosphorofluoridate (CAS 625-17-2) is a chemical compound with molecular formula C8H18FO3P and molecular weight 212.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[butan-2-yloxy(fluoro)phosphoryl]oxybutane
Also Known As: Di-sec-butyl fluorophosphate, Di-sec-butyl fluorophosphonate, di-sec-butyl phosphorofluoridate, Dibutan-2-yl phosphorofluoridate, TL 1266
| Molecular Formula | C8H18FO3P |
|---|---|
| Molecular Weight | 212.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 212.09776 |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 625-17-2 |
|---|---|
| SMILES | CCC(C)OP(=O)(OC(C)CC)F |
| InChIKey | JZZAQBZVRYPEAM-UHFFFAOYSA-N |
Product Overview
Bis(1-methylpropyl) phosphorofluoridate (CAS 625-17-2), with molecular formula C8H18FO3P and molecular weight 212.10 g/mol. IUPAC: 2-[butan-2-yloxy(fluoro)phosphoryl]oxybutane.
Chemical Property Profile of Bis(1-methylpropyl) phosphorofluoridate
Property Insights of Bis(1-methylpropyl) phosphorofluoridate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(1-methylpropyl) phosphorofluoridate. With a topological polar surface area (TPSA) of 35.5 Ų, Bis(1-methylpropyl) phosphorofluoridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(1-methylpropyl) phosphorofluoridate has 0 hydrogen bond donor(s) and 4 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 Bis(1-methylpropyl) phosphorofluoridate?
The CAS number of Bis(1-methylpropyl) phosphorofluoridate is 625-17-2.
What is the molecular formula of Bis(1-methylpropyl) phosphorofluoridate?
The molecular formula of Bis(1-methylpropyl) phosphorofluoridate is C8H18FO3P.
What is the molecular weight of Bis(1-methylpropyl) phosphorofluoridate?
The molecular weight of Bis(1-methylpropyl) phosphorofluoridate is 212.10 g/mol.
Where can I buy Bis(1-methylpropyl) phosphorofluoridate?
You can request a quote for Bis(1-methylpropyl) phosphorofluoridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(1-methylpropyl) phosphorofluoridate?
Yes, KEHONG BIO provides custom synthesis services for Bis(1-methylpropyl) phosphorofluoridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.