Hexyl methylphosphonofluoridate
TL;DR: Hexyl methylphosphonofluoridate (CAS 113548-89-3) 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]oxyhexane
Also Known As: Hexyl methylphosphonofluoridate, n-Hexyl methylphosphonofluoridate, 1-[fluoro(methyl)phosphoryl]oxyhexane, Hexyl methylphosphonofluoridoate #, Methylphosphonofluoridic acid O-hexyl ester
| Molecular Formula | C7H16FO2P |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 182.08719 |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 113548-89-3 |
|---|---|
| SMILES | CCCCCCOP(=O)(C)F |
| InChIKey | IPRNMZIRVLGZQD-UHFFFAOYSA-N |
Product Overview
Hexyl methylphosphonofluoridate (CAS 113548-89-3), with molecular formula C7H16FO2P and molecular weight 182.09 g/mol. IUPAC: 1-[fluoro(methyl)phosphoryl]oxyhexane.
Chemical Property Profile of Hexyl methylphosphonofluoridate
Property Insights of Hexyl methylphosphonofluoridate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexyl methylphosphonofluoridate. With a topological polar surface area (TPSA) of 26.3 Ų, Hexyl methylphosphonofluoridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 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 Hexyl methylphosphonofluoridate?
The CAS number of Hexyl methylphosphonofluoridate is 113548-89-3.
What is the molecular formula of Hexyl methylphosphonofluoridate?
The molecular formula of Hexyl methylphosphonofluoridate is C7H16FO2P.
What is the molecular weight of Hexyl methylphosphonofluoridate?
The molecular weight of Hexyl methylphosphonofluoridate is 182.09 g/mol.
Where can I buy Hexyl methylphosphonofluoridate?
You can request a quote for Hexyl methylphosphonofluoridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl methylphosphonofluoridate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl methylphosphonofluoridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.