3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide
TL;DR: 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide (CAS 217075-82-6) is a chemical compound with molecular formula C12H15N2O3PS and molecular weight 298.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide
Also Known As: PHOXIM, Baythion, Valexon, Volaton, Phoxime
| Molecular Formula | C12H15N2O3PS |
|---|---|
| Molecular Weight | 298.05 g/mol |
| LogP | 3.22838 |
| Topological Polar Surface Area | 63.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 298.0541 |
| Heavy Atoms | 19 |
| Complexity | 503.4558 |
Chemical Identifiers
| CAS Number | 217075-82-6 |
|---|---|
| SMILES | CCOP(=S)(OCC)O/N=C(\C#N)/C1=CC=CC=C1 |
Product Overview
3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide (CAS 217075-82-6), with molecular formula C12H15N2O3PS and molecular weight 298.05 g/mol. IUPAC: (Z)-N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide.
Chemical Property Profile of 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide
Property Insights of 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide
The XLogP value of 3.22838 indicates that 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide. Following Lipinski's Rule of Five, 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide has 0 hydrogen bond donor(s) and 6 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 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide?
The CAS number of 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide is 217075-82-6.
What is the molecular formula of 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide?
The molecular formula of 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide is C12H15N2O3PS.
What is the molecular weight of 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide?
The molecular weight of 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide is 298.05 g/mol.
Where can I buy 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide?
You can request a quote for 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.