2-Heptyl methylphosphonofluoridate
TL;DR: 2-Heptyl methylphosphonofluoridate (CAS 674-95-3) is a chemical compound with molecular formula C8H18FO2P and molecular weight 196.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[fluoro(methyl)phosphoryl]oxyheptane
Also Known As: 2-Heptyl methylphosphonofluoridate, Heptan-2-yl methylphosphonofluoridate, 2-[fluoro(methyl)phosphoryl]oxyheptane, 1-Methylhexyl methylphosphonofluoridoate #, Phosphonofluoridic acid, methyl-, 1-methylhexyl ester
| Molecular Formula | C8H18FO2P |
|---|---|
| Molecular Weight | 196.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 196.10284 |
| Heavy Atoms | 12 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 674-95-3 |
|---|---|
| SMILES | CCCCCC(C)OP(=O)(C)F |
| InChIKey | GAHZKMFBZYULGR-UHFFFAOYSA-N |
Product Overview
2-Heptyl methylphosphonofluoridate (CAS 674-95-3), with molecular formula C8H18FO2P and molecular weight 196.10 g/mol. IUPAC: 2-[fluoro(methyl)phosphoryl]oxyheptane.
Chemical Property Profile of 2-Heptyl methylphosphonofluoridate
Property Insights of 2-Heptyl methylphosphonofluoridate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Heptyl methylphosphonofluoridate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Heptyl methylphosphonofluoridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Heptyl 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-Heptyl methylphosphonofluoridate?
The CAS number of 2-Heptyl methylphosphonofluoridate is 674-95-3.
What is the molecular formula of 2-Heptyl methylphosphonofluoridate?
The molecular formula of 2-Heptyl methylphosphonofluoridate is C8H18FO2P.
What is the molecular weight of 2-Heptyl methylphosphonofluoridate?
The molecular weight of 2-Heptyl methylphosphonofluoridate is 196.10 g/mol.
Where can I buy 2-Heptyl methylphosphonofluoridate?
You can request a quote for 2-Heptyl methylphosphonofluoridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Heptyl methylphosphonofluoridate?
Yes, KEHONG BIO provides custom synthesis services for 2-Heptyl methylphosphonofluoridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.