2-tert-Butylcyclohexyl ethylphosphonofluoridate
TL;DR: 2-tert-Butylcyclohexyl ethylphosphonofluoridate (CAS 1005254-23-8) is a chemical compound with molecular formula C12H24FO2P and molecular weight 250.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-2-[ethyl(fluoro)phosphoryl]oxycyclohexane
Also Known As: 2-tert-Butylcyclohexyl ethylphosphonofluoridate, 2-tert-Butylcyclohexyl ethylphosphonofluoridoate #, 1-tert-butyl-2-[ethyl(fluoro)phosphoryl]oxycyclohexane, 2-(1,1-Dimethylethyl)cyclohexyl P-ethylphosphonofluoridate
| Molecular Formula | C12H24FO2P |
|---|---|
| Molecular Weight | 250.15 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.1498 |
| Heavy Atoms | 16 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 1005254-23-8 |
|---|---|
| SMILES | CCP(=O)(OC1CCCCC1C(C)(C)C)F |
| InChIKey | MDNWFIHZPIVLJW-UHFFFAOYSA-N |
Product Overview
2-tert-Butylcyclohexyl ethylphosphonofluoridate (CAS 1005254-23-8), with molecular formula C12H24FO2P and molecular weight 250.15 g/mol. IUPAC: 1-tert-butyl-2-[ethyl(fluoro)phosphoryl]oxycyclohexane.
Chemical Property Profile of 2-tert-Butylcyclohexyl ethylphosphonofluoridate
Property Insights of 2-tert-Butylcyclohexyl ethylphosphonofluoridate
The XLogP value of 3.8 indicates that 2-tert-Butylcyclohexyl 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, 2-tert-Butylcyclohexyl ethylphosphonofluoridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-tert-Butylcyclohexyl 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 2-tert-Butylcyclohexyl ethylphosphonofluoridate?
The CAS number of 2-tert-Butylcyclohexyl ethylphosphonofluoridate is 1005254-23-8.
What is the molecular formula of 2-tert-Butylcyclohexyl ethylphosphonofluoridate?
The molecular formula of 2-tert-Butylcyclohexyl ethylphosphonofluoridate is C12H24FO2P.
What is the molecular weight of 2-tert-Butylcyclohexyl ethylphosphonofluoridate?
The molecular weight of 2-tert-Butylcyclohexyl ethylphosphonofluoridate is 250.15 g/mol.
Where can I buy 2-tert-Butylcyclohexyl ethylphosphonofluoridate?
You can request a quote for 2-tert-Butylcyclohexyl ethylphosphonofluoridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-Butylcyclohexyl ethylphosphonofluoridate?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-Butylcyclohexyl ethylphosphonofluoridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.