3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 7-(4-chlorophenyl)-4-(methylamino)-, 4-oxide
TL;DR: 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 7-(4-chlorophenyl)-4-(methylamino)-, 4-oxide (CAS 67410-46-2) is a chemical compound with molecular formula C11H13ClN3O3P and molecular weight 301.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[ethoxy(methylamino)phosphoryl]oxybenzenecarboximidoyl cyanide
Also Known As: 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 7-(4-chlorophenyl)-4-(methylamino)-, 4-oxide
| Molecular Formula | C11H13ClN3O3P |
|---|---|
| Molecular Weight | 301.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.0383 |
| Heavy Atoms | 19 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 67410-46-2 |
|---|---|
| SMILES | CCOP(=O)(NC)ON=C(C#N)C1=CC=C(C=C1)Cl |
| InChIKey | KCHQCSFNEDVXNP-UHFFFAOYSA-N |
Product Overview
3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 7-(4-chlorophenyl)-4-(methylamino)-, 4-oxide (CAS 67410-46-2), with molecular formula C11H13ClN3O3P and molecular weight 301.04 g/mol. IUPAC: 4-chloro-N-[ethoxy(methylamino)phosphoryl]oxybenzenecarboximidoyl cyanide.
Chemical Property Profile of 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 7-(4-chlorophenyl)-4-(methylamino)-, 4-oxide
Property Insights of 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 7-(4-chlorophenyl)-4-(methylamino)-, 4-oxide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 7-(4-chlorophenyl)-4-(methylamino)-, 4-oxide. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 7-(4-chlorophenyl)-4-(methylamino)-, 4-oxide. Following Lipinski's Rule of Five, 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 7-(4-chlorophenyl)-4-(methylamino)-, 4-oxide has 1 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, 7-(4-chlorophenyl)-4-(methylamino)-, 4-oxide?
The CAS number of 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 7-(4-chlorophenyl)-4-(methylamino)-, 4-oxide is 67410-46-2.
What is the molecular formula of 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 7-(4-chlorophenyl)-4-(methylamino)-, 4-oxide?
The molecular formula of 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 7-(4-chlorophenyl)-4-(methylamino)-, 4-oxide is C11H13ClN3O3P.
What is the molecular weight of 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 7-(4-chlorophenyl)-4-(methylamino)-, 4-oxide?
The molecular weight of 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 7-(4-chlorophenyl)-4-(methylamino)-, 4-oxide is 301.04 g/mol.
Where can I buy 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 7-(4-chlorophenyl)-4-(methylamino)-, 4-oxide?
You can request a quote for 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 7-(4-chlorophenyl)-4-(methylamino)-, 4-oxide 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, 7-(4-chlorophenyl)-4-(methylamino)-, 4-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 7-(4-chlorophenyl)-4-(methylamino)-, 4-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.