4-Oxa-3,6-diaza-5-phosphanon-2-enenitrile, 2-(4-chlorophenyl)-5-ethoxy-, 5-oxide
TL;DR: 4-Oxa-3,6-diaza-5-phosphanon-2-enenitrile, 2-(4-chlorophenyl)-5-ethoxy-, 5-oxide (CAS 67430-32-4) is a chemical compound with molecular formula C13H17ClN3O3P and molecular weight 329.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E)-4-chloro-N-[ethoxy(propylamino)phosphoryl]oxybenzenecarboximidoyl cyanide
Also Known As: 2-(4-Chlorophenyl)-5-ethoxy-4-oxa-3,6-diaza-5-phosphanon-2-enenitrile 5-oxide, 4-Oxa-3,6-diaza-5-phosphanon-2-enenitrile, 2-(4-chlorophenyl)-5-ethoxy-, 5-oxide, RefChem:1071338, BRN 2894731
| Molecular Formula | C13H17ClN3O3P |
|---|---|
| Molecular Weight | 329.07 g/mol |
| LogP | 3.72848 |
| Topological Polar Surface Area | 83.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 329.0696 |
| Heavy Atoms | 21 |
| Complexity | 569.01935 |
Chemical Identifiers
| CAS Number | 67430-32-4 |
|---|---|
| SMILES | CCCNP(=O)(OCC)O/N=C(/C#N)\C1=CC=C(C=C1)Cl |
Product Overview
4-Oxa-3,6-diaza-5-phosphanon-2-enenitrile, 2-(4-chlorophenyl)-5-ethoxy-, 5-oxide (CAS 67430-32-4), with molecular formula C13H17ClN3O3P and molecular weight 329.07 g/mol. IUPAC: (1E)-4-chloro-N-[ethoxy(propylamino)phosphoryl]oxybenzenecarboximidoyl cyanide.
Chemical Property Profile of 4-Oxa-3,6-diaza-5-phosphanon-2-enenitrile, 2-(4-chlorophenyl)-5-ethoxy-, 5-oxide
Property Insights of 4-Oxa-3,6-diaza-5-phosphanon-2-enenitrile, 2-(4-chlorophenyl)-5-ethoxy-, 5-oxide
The XLogP value of 3.72848 indicates that 4-Oxa-3,6-diaza-5-phosphanon-2-enenitrile, 2-(4-chlorophenyl)-5-ethoxy-, 5-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxa-3,6-diaza-5-phosphanon-2-enenitrile, 2-(4-chlorophenyl)-5-ethoxy-, 5-oxide. Following Lipinski's Rule of Five, 4-Oxa-3,6-diaza-5-phosphanon-2-enenitrile, 2-(4-chlorophenyl)-5-ethoxy-, 5-oxide has 1 hydrogen bond donor(s) and 5 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-Oxa-3,6-diaza-5-phosphanon-2-enenitrile, 2-(4-chlorophenyl)-5-ethoxy-, 5-oxide?
The CAS number of 4-Oxa-3,6-diaza-5-phosphanon-2-enenitrile, 2-(4-chlorophenyl)-5-ethoxy-, 5-oxide is 67430-32-4.
What is the molecular formula of 4-Oxa-3,6-diaza-5-phosphanon-2-enenitrile, 2-(4-chlorophenyl)-5-ethoxy-, 5-oxide?
The molecular formula of 4-Oxa-3,6-diaza-5-phosphanon-2-enenitrile, 2-(4-chlorophenyl)-5-ethoxy-, 5-oxide is C13H17ClN3O3P.
What is the molecular weight of 4-Oxa-3,6-diaza-5-phosphanon-2-enenitrile, 2-(4-chlorophenyl)-5-ethoxy-, 5-oxide?
The molecular weight of 4-Oxa-3,6-diaza-5-phosphanon-2-enenitrile, 2-(4-chlorophenyl)-5-ethoxy-, 5-oxide is 329.07 g/mol.
Where can I buy 4-Oxa-3,6-diaza-5-phosphanon-2-enenitrile, 2-(4-chlorophenyl)-5-ethoxy-, 5-oxide?
You can request a quote for 4-Oxa-3,6-diaza-5-phosphanon-2-enenitrile, 2-(4-chlorophenyl)-5-ethoxy-, 5-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxa-3,6-diaza-5-phosphanon-2-enenitrile, 2-(4-chlorophenyl)-5-ethoxy-, 5-oxide?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxa-3,6-diaza-5-phosphanon-2-enenitrile, 2-(4-chlorophenyl)-5-ethoxy-, 5-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.