Butyl methylphosphonofluoridate
TL;DR: Butyl methylphosphonofluoridate (CAS 352-63-6) is a chemical compound with molecular formula C5H12FO2P and molecular weight 154.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[fluoro(methyl)phosphoryl]oxybutane
Also Known As: Butyl methylphosphonofluoridate, n-Butyl methylphosphonofluoridate, O-butyl methylfluorophosphonate, Phosphonofluoridic acid, methyl-, butyl ester, Butyl methylphosphonofluoridoate #
| Molecular Formula | C5H12FO2P |
|---|---|
| Molecular Weight | 154.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 154.0559 |
| Heavy Atoms | 9 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 352-63-6 |
|---|---|
| SMILES | CCCCOP(=O)(C)F |
| InChIKey | DPBYNDKWLKHTAK-UHFFFAOYSA-N |
Product Overview
Butyl methylphosphonofluoridate (CAS 352-63-6), with molecular formula C5H12FO2P and molecular weight 154.06 g/mol. IUPAC: 1-[fluoro(methyl)phosphoryl]oxybutane.
Chemical Property Profile of Butyl methylphosphonofluoridate
Property Insights of Butyl methylphosphonofluoridate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl methylphosphonofluoridate. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl methylphosphonofluoridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl methylphosphonofluoridate 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 methylphosphonofluoridate?
The CAS number of Butyl methylphosphonofluoridate is 352-63-6.
What is the molecular formula of Butyl methylphosphonofluoridate?
The molecular formula of Butyl methylphosphonofluoridate is C5H12FO2P.
What is the molecular weight of Butyl methylphosphonofluoridate?
The molecular weight of Butyl methylphosphonofluoridate is 154.06 g/mol.
Where can I buy Butyl methylphosphonofluoridate?
You can request a quote for Butyl methylphosphonofluoridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl methylphosphonofluoridate?
Yes, KEHONG BIO provides custom synthesis services for Butyl methylphosphonofluoridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.