2-Pentyl methylphosphonofluoridate
TL;DR: 2-Pentyl methylphosphonofluoridate (CAS 761-93-3) 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.
2-[fluoro(methyl)phosphoryl]oxypentane
Also Known As: 2-Pentyl methylphosphonofluoridate, Pentan-2-yl methylphosphonofluoridate, 2-[fluoro(methyl)phosphoryl]oxypentane, 1-Methylbutyl methylphosphonofluoridoate, 1-Methylbutyl methylphosphonofluoridoate #
| Molecular Formula | C6H14FO2P |
|---|---|
| Molecular Weight | 168.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.07155 |
| Heavy Atoms | 10 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 761-93-3 |
|---|---|
| SMILES | CCCC(C)OP(=O)(C)F |
| InChIKey | ZGGVALBTVLYHSY-UHFFFAOYSA-N |
Product Overview
2-Pentyl methylphosphonofluoridate (CAS 761-93-3), with molecular formula C6H14FO2P and molecular weight 168.07 g/mol. IUPAC: 2-[fluoro(methyl)phosphoryl]oxypentane.
Chemical Property Profile of 2-Pentyl methylphosphonofluoridate
Property Insights of 2-Pentyl methylphosphonofluoridate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pentyl methylphosphonofluoridate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Pentyl methylphosphonofluoridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentyl 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 2-Pentyl methylphosphonofluoridate?
The CAS number of 2-Pentyl methylphosphonofluoridate is 761-93-3.
What is the molecular formula of 2-Pentyl methylphosphonofluoridate?
The molecular formula of 2-Pentyl methylphosphonofluoridate is C6H14FO2P.
What is the molecular weight of 2-Pentyl methylphosphonofluoridate?
The molecular weight of 2-Pentyl methylphosphonofluoridate is 168.07 g/mol.
Where can I buy 2-Pentyl methylphosphonofluoridate?
You can request a quote for 2-Pentyl methylphosphonofluoridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pentyl methylphosphonofluoridate?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentyl methylphosphonofluoridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.