Heptyl ethylphosphonofluoridate
TL;DR: Heptyl ethylphosphonofluoridate (CAS 162085-85-0) 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.
1-[ethyl(fluoro)phosphoryl]oxyheptane
Also Known As: Heptyl ethylphosphonofluoridate, 1-[ethyl(fluoro)phosphoryl]oxyheptane, Heptyl ethylphosphonofluoridoate #, Ethylfluoridophosphonic acid heptyl ester, Ethylphoshonic acid, fluoroanhydride, heptyl ester
| 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 | 8 |
| Exact Mass | 210.1185 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 162085-85-0 |
|---|---|
| SMILES | CCCCCCCOP(=O)(CC)F |
| InChIKey | CQXIORRIIAXLOU-UHFFFAOYSA-N |
Product Overview
Heptyl ethylphosphonofluoridate (CAS 162085-85-0), with molecular formula C9H20FO2P and molecular weight 210.12 g/mol. IUPAC: 1-[ethyl(fluoro)phosphoryl]oxyheptane.
Chemical Property Profile of Heptyl ethylphosphonofluoridate
Property Insights of Heptyl ethylphosphonofluoridate
The XLogP value of 3.2 indicates that Heptyl ethylphosphonofluoridate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Heptyl ethylphosphonofluoridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl ethylphosphonofluoridate 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 Heptyl ethylphosphonofluoridate?
The CAS number of Heptyl ethylphosphonofluoridate is 162085-85-0.
What is the molecular formula of Heptyl ethylphosphonofluoridate?
The molecular formula of Heptyl ethylphosphonofluoridate is C9H20FO2P.
What is the molecular weight of Heptyl ethylphosphonofluoridate?
The molecular weight of Heptyl ethylphosphonofluoridate is 210.12 g/mol.
Where can I buy Heptyl ethylphosphonofluoridate?
You can request a quote for Heptyl ethylphosphonofluoridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl ethylphosphonofluoridate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl ethylphosphonofluoridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.