4-(1-Pyrenyl)butyl methylphosphonofluoridate
TL;DR: 4-(1-Pyrenyl)butyl methylphosphonofluoridate (CAS 68188-96-5) is a chemical compound with molecular formula C21H20FO2P and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[fluoro(methyl)phosphoryl]oxybutyl]pyrene
Also Known As: PBMPF, Pyrenebutyl-methylphosphonofluoridate, 4- butylmethylphosphonofluoridate, Pyrenebutylmethylphosphonofluoridate, 4-(1-Pyrenyl)butyl methylphosphonofluoridate
| Molecular Formula | C21H20FO2P |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.1185 |
| Heavy Atoms | 25 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 68188-96-5 |
|---|---|
| SMILES | CP(=O)(OCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)F |
| InChIKey | VSWBPUDGAWYALA-UHFFFAOYSA-N |
Product Overview
4-(1-Pyrenyl)butyl methylphosphonofluoridate (CAS 68188-96-5), with molecular formula C21H20FO2P and molecular weight 354.12 g/mol. IUPAC: 1-[4-[fluoro(methyl)phosphoryl]oxybutyl]pyrene.
Chemical Property Profile of 4-(1-Pyrenyl)butyl methylphosphonofluoridate
Property Insights of 4-(1-Pyrenyl)butyl methylphosphonofluoridate
The XLogP value of 5.7 indicates that 4-(1-Pyrenyl)butyl 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-(1-Pyrenyl)butyl methylphosphonofluoridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Pyrenyl)butyl methylphosphonofluoridate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(1-Pyrenyl)butyl methylphosphonofluoridate?
The CAS number of 4-(1-Pyrenyl)butyl methylphosphonofluoridate is 68188-96-5.
What is the molecular formula of 4-(1-Pyrenyl)butyl methylphosphonofluoridate?
The molecular formula of 4-(1-Pyrenyl)butyl methylphosphonofluoridate is C21H20FO2P.
What is the molecular weight of 4-(1-Pyrenyl)butyl methylphosphonofluoridate?
The molecular weight of 4-(1-Pyrenyl)butyl methylphosphonofluoridate is 354.12 g/mol.
Where can I buy 4-(1-Pyrenyl)butyl methylphosphonofluoridate?
You can request a quote for 4-(1-Pyrenyl)butyl methylphosphonofluoridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Pyrenyl)butyl methylphosphonofluoridate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Pyrenyl)butyl methylphosphonofluoridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.