4-Methyl-1-pentyl methylphosphonofluoridate
TL;DR: 4-Methyl-1-pentyl methylphosphonofluoridate (CAS 959010-20-9) is a chemical compound with molecular formula C7H16FO2P and molecular weight 182.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[fluoro(methyl)phosphoryl]oxy-4-methylpentane
Also Known As: 4-Methyl-1-pentyl methylphosphonofluoridate, 4-Methylpentyl P-methylphosphonofluoridate, 4-Methylpentyl methylphosphonofluoridoate #, 1-[fluoro(methyl)phosphoryl]oxy-4-methylpentane
| Molecular Formula | C7H16FO2P |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 182.08719 |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 959010-20-9 |
|---|---|
| SMILES | CC(C)CCCOP(=O)(C)F |
| InChIKey | IRIOMNARYPXKAU-UHFFFAOYSA-N |
Product Overview
4-Methyl-1-pentyl methylphosphonofluoridate (CAS 959010-20-9), with molecular formula C7H16FO2P and molecular weight 182.09 g/mol. IUPAC: 1-[fluoro(methyl)phosphoryl]oxy-4-methylpentane.
Chemical Property Profile of 4-Methyl-1-pentyl methylphosphonofluoridate
Property Insights of 4-Methyl-1-pentyl methylphosphonofluoridate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-1-pentyl methylphosphonofluoridate. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Methyl-1-pentyl methylphosphonofluoridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-1-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 4-Methyl-1-pentyl methylphosphonofluoridate?
The CAS number of 4-Methyl-1-pentyl methylphosphonofluoridate is 959010-20-9.
What is the molecular formula of 4-Methyl-1-pentyl methylphosphonofluoridate?
The molecular formula of 4-Methyl-1-pentyl methylphosphonofluoridate is C7H16FO2P.
What is the molecular weight of 4-Methyl-1-pentyl methylphosphonofluoridate?
The molecular weight of 4-Methyl-1-pentyl methylphosphonofluoridate is 182.09 g/mol.
Where can I buy 4-Methyl-1-pentyl methylphosphonofluoridate?
You can request a quote for 4-Methyl-1-pentyl methylphosphonofluoridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-1-pentyl methylphosphonofluoridate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-1-pentyl methylphosphonofluoridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.