4-Methyl-3-heptyl methylphosphonofluoridate
TL;DR: 4-Methyl-3-heptyl methylphosphonofluoridate (CAS 1005240-09-4) is a chemical compound with molecular formula C9H20FO2P and molecular weight 210.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[fluoro(methyl)phosphoryl]oxy-4-methylheptane
Also Known As: 4-Methyl-3-heptyl methylphosphonofluoridate, 4-methylheptan-3-yl methylphosphonofluoridate, 3-[fluoro(methyl)phosphoryl]oxy-4-methylheptane, 1-Ethyl-2-methylpentyl P-methylphosphonofluoridate, 1-Ethyl-2-methylpentyl methylphosphonofluoridoate #
| Molecular Formula | C9H20FO2P |
|---|---|
| Molecular Weight | 210.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 210.1185 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 1005240-09-4 |
|---|---|
| SMILES | CCCC(C)C(CC)OP(=O)(C)F |
| InChIKey | RPKWRRYESHKSCD-UHFFFAOYSA-N |
Product Overview
4-Methyl-3-heptyl methylphosphonofluoridate (CAS 1005240-09-4), with molecular formula C9H20FO2P and molecular weight 210.12 g/mol. IUPAC: 3-[fluoro(methyl)phosphoryl]oxy-4-methylheptane.
Chemical Property Profile of 4-Methyl-3-heptyl methylphosphonofluoridate
Property Insights of 4-Methyl-3-heptyl methylphosphonofluoridate
The XLogP value of 3.2 indicates that 4-Methyl-3-heptyl methylphosphonofluoridate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Methyl-3-heptyl methylphosphonofluoridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-3-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 4-Methyl-3-heptyl methylphosphonofluoridate?
The CAS number of 4-Methyl-3-heptyl methylphosphonofluoridate is 1005240-09-4.
What is the molecular formula of 4-Methyl-3-heptyl methylphosphonofluoridate?
The molecular formula of 4-Methyl-3-heptyl methylphosphonofluoridate is C9H20FO2P.
What is the molecular weight of 4-Methyl-3-heptyl methylphosphonofluoridate?
The molecular weight of 4-Methyl-3-heptyl methylphosphonofluoridate is 210.12 g/mol.
Where can I buy 4-Methyl-3-heptyl methylphosphonofluoridate?
You can request a quote for 4-Methyl-3-heptyl 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-3-heptyl methylphosphonofluoridate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3-heptyl methylphosphonofluoridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.