Neopentyl methylphosphonofluoridate
TL;DR: Neopentyl methylphosphonofluoridate (CAS 51853-63-5) is a chemical compound with molecular formula C6H14FO2P and molecular weight 168.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylpropane
Also Known As: Neopentyl methylphosphonofluoridate, 2,2-Dimethylpropyl methylphosphonofluoridate, Neopentyl methylphosphonofluoridoate #, Phosphonofluoridic acid, methyl-, neopentyl ester, J1.491.182K
| Molecular Formula | C6H14FO2P |
|---|---|
| Molecular Weight | 168.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.07155 |
| Heavy Atoms | 10 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 51853-63-5 |
|---|---|
| SMILES | CC(C)(C)COP(=O)(C)F |
| InChIKey | ZPQGCTBCVSLWGD-UHFFFAOYSA-N |
Product Overview
Neopentyl methylphosphonofluoridate (CAS 51853-63-5), with molecular formula C6H14FO2P and molecular weight 168.07 g/mol. IUPAC: 1-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylpropane.
Chemical Property Profile of Neopentyl methylphosphonofluoridate
Property Insights of Neopentyl methylphosphonofluoridate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neopentyl methylphosphonofluoridate. With a topological polar surface area (TPSA) of 26.3 Ų, Neopentyl methylphosphonofluoridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neopentyl 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 Neopentyl methylphosphonofluoridate?
The CAS number of Neopentyl methylphosphonofluoridate is 51853-63-5.
What is the molecular formula of Neopentyl methylphosphonofluoridate?
The molecular formula of Neopentyl methylphosphonofluoridate is C6H14FO2P.
What is the molecular weight of Neopentyl methylphosphonofluoridate?
The molecular weight of Neopentyl methylphosphonofluoridate is 168.07 g/mol.
Where can I buy Neopentyl methylphosphonofluoridate?
You can request a quote for Neopentyl methylphosphonofluoridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neopentyl methylphosphonofluoridate?
Yes, KEHONG BIO provides custom synthesis services for Neopentyl methylphosphonofluoridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.