1-Ethylhexyl isopropylphosphonofluoridate
TL;DR: 1-Ethylhexyl isopropylphosphonofluoridate (CAS 959088-13-2) is a chemical compound with molecular formula C11H24FO2P and molecular weight 238.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[fluoro(propan-2-yl)phosphoryl]oxyoctane
Also Known As: 1-Ethylhexyl isopropylphosphonofluoridate, 1-Ethylhexyl isopropylphosphonofluoridoate #, 3-[fluoro(propan-2-yl)phosphoryl]oxyoctane, 1-Ethylhexyl P-(1-methylethyl)phosphonofluoridate
| Molecular Formula | C11H24FO2P |
|---|---|
| Molecular Weight | 238.15 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 238.1498 |
| Heavy Atoms | 15 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 959088-13-2 |
|---|---|
| SMILES | CCCCCC(CC)OP(=O)(C(C)C)F |
| InChIKey | OEWSUYRKECUXJX-UHFFFAOYSA-N |
Product Overview
1-Ethylhexyl isopropylphosphonofluoridate (CAS 959088-13-2), with molecular formula C11H24FO2P and molecular weight 238.15 g/mol. IUPAC: 3-[fluoro(propan-2-yl)phosphoryl]oxyoctane.
Chemical Property Profile of 1-Ethylhexyl isopropylphosphonofluoridate
Property Insights of 1-Ethylhexyl isopropylphosphonofluoridate
The XLogP value of 4.1 indicates that 1-Ethylhexyl isopropylphosphonofluoridate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Ethylhexyl isopropylphosphonofluoridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethylhexyl isopropylphosphonofluoridate 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 1-Ethylhexyl isopropylphosphonofluoridate?
The CAS number of 1-Ethylhexyl isopropylphosphonofluoridate is 959088-13-2.
What is the molecular formula of 1-Ethylhexyl isopropylphosphonofluoridate?
The molecular formula of 1-Ethylhexyl isopropylphosphonofluoridate is C11H24FO2P.
What is the molecular weight of 1-Ethylhexyl isopropylphosphonofluoridate?
The molecular weight of 1-Ethylhexyl isopropylphosphonofluoridate is 238.15 g/mol.
Where can I buy 1-Ethylhexyl isopropylphosphonofluoridate?
You can request a quote for 1-Ethylhexyl isopropylphosphonofluoridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethylhexyl isopropylphosphonofluoridate?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethylhexyl isopropylphosphonofluoridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.