4-Cyanophenyl methyl ethylphosphonate
TL;DR: 4-Cyanophenyl methyl ethylphosphonate (CAS 33232-88-1) is a chemical compound with molecular formula C10H12NO3P and molecular weight 225.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[ethyl(methoxy)phosphoryl]oxybenzonitrile
Also Known As: 4-cyanophenyl methyl ethylphosphonate, Methyl (p-cyanophenyl) ethylphosphonate, 4-[ethyl(methoxy)phosphoryl]oxybenzonitrile, 4-(ethyl-methoxyphosphoryl)oxybenzonitrile, Phosphonic acid, ethyl-, methyl (p-cyanophenyl) ester
| Molecular Formula | C10H12NO3P |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.05548 |
| Heavy Atoms | 15 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 33232-88-1 |
|---|---|
| SMILES | CCP(=O)(OC)OC1=CC=C(C=C1)C#N |
| InChIKey | MNSKANYJEVJUOP-UHFFFAOYSA-N |
Product Overview
4-Cyanophenyl methyl ethylphosphonate (CAS 33232-88-1), with molecular formula C10H12NO3P and molecular weight 225.06 g/mol. IUPAC: 4-[ethyl(methoxy)phosphoryl]oxybenzonitrile.
Chemical Property Profile of 4-Cyanophenyl methyl ethylphosphonate
Property Insights of 4-Cyanophenyl methyl ethylphosphonate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyanophenyl methyl ethylphosphonate. With a topological polar surface area (TPSA) of 59.3 Ų, 4-Cyanophenyl methyl ethylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyanophenyl methyl ethylphosphonate has 0 hydrogen bond donor(s) and 4 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 4-Cyanophenyl methyl ethylphosphonate?
The CAS number of 4-Cyanophenyl methyl ethylphosphonate is 33232-88-1.
What is the molecular formula of 4-Cyanophenyl methyl ethylphosphonate?
The molecular formula of 4-Cyanophenyl methyl ethylphosphonate is C10H12NO3P.
What is the molecular weight of 4-Cyanophenyl methyl ethylphosphonate?
The molecular weight of 4-Cyanophenyl methyl ethylphosphonate is 225.06 g/mol.
Where can I buy 4-Cyanophenyl methyl ethylphosphonate?
You can request a quote for 4-Cyanophenyl methyl ethylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyanophenyl methyl ethylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyanophenyl methyl ethylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.