Diisopropyl (cyanomethyl)phosphonate
TL;DR: Diisopropyl (cyanomethyl)phosphonate (CAS 21658-95-7) is a chemical compound with molecular formula C8H16NO3P and molecular weight 205.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-di(propan-2-yloxy)phosphorylacetonitrile
Also Known As: Diisopropyl (cyanomethyl)phosphonate, DIISOPROPYL CYANOMETHYLPHOSPHONATE, 2-Diisopropoxyphosphorylacetonitrile, 2-di(propan-2-yloxy)phosphorylacetonitrile, Diisopropyl Cyanomethylphosphonate,
| Molecular Formula | C8H16NO3P |
|---|---|
| Molecular Weight | 205.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 205.08678 |
| Heavy Atoms | 13 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 21658-95-7 |
|---|---|
| SMILES | CC(C)OP(=O)(CC#N)OC(C)C |
| InChIKey | MQDIIJHQSUNBKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diisopropyl (cyanomethyl)phosphonate (CAS 21658-95-7), with molecular formula C8H16NO3P and molecular weight 205.09 g/mol. IUPAC: 2-di(propan-2-yloxy)phosphorylacetonitrile.
Chemical Property Profile of Diisopropyl (cyanomethyl)phosphonate
Property Insights of Diisopropyl (cyanomethyl)phosphonate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diisopropyl (cyanomethyl)phosphonate. With a topological polar surface area (TPSA) of 59.3 Ų, Diisopropyl (cyanomethyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisopropyl (cyanomethyl)phosphonate 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 Diisopropyl (cyanomethyl)phosphonate?
The CAS number of Diisopropyl (cyanomethyl)phosphonate is 21658-95-7.
What is the molecular formula of Diisopropyl (cyanomethyl)phosphonate?
The molecular formula of Diisopropyl (cyanomethyl)phosphonate is C8H16NO3P.
What is the molecular weight of Diisopropyl (cyanomethyl)phosphonate?
The molecular weight of Diisopropyl (cyanomethyl)phosphonate is 205.09 g/mol.
Where can I buy Diisopropyl (cyanomethyl)phosphonate?
You can request a quote for Diisopropyl (cyanomethyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisopropyl (cyanomethyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diisopropyl (cyanomethyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.