N-(3,5-Diimino-1,2,4-triazolidin-4-yl)-N'-(4-ethoxyphenyl)ethanediamide
TL;DR: N-(3,5-Diimino-1,2,4-triazolidin-4-yl)-N'-(4-ethoxyphenyl)ethanediamide (CAS 908809-86-9) is a chemical compound with molecular formula C12H15N7O3 and molecular weight 305.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(3,5-diamino-1,2,4-triazol-4-yl)-N-(4-ethoxyphenyl)oxamide
Also Known As: NCI60_016927, N-(3,5-Diimino-1,2,4-triazolidin-4-yl)-N'-(4-ethoxyphenyl)ethanediamide, N1-(3,5-Diamino-4H-1,2,4-triazol-4-yl)-N2-(4-ethoxyphenyl)ethanediamide, N'-(3,5-diamino-1,2,4-triazol-4-yl)-N-(4-ethoxyphenyl)oxamide, N'-(3,5-diimino-1,2,4-triazolidin-4-yl)-N-(4-ethoxyphenyl)oxamide
| Molecular Formula | C12H15N7O3 |
|---|---|
| Molecular Weight | 305.12 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.12363 |
| Heavy Atoms | 22 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 908809-86-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)C(=O)NN2C(=NN=C2N)N |
| InChIKey | KQCFNGBFGGHCHV-UHFFFAOYSA-N |
Product Overview
N-(3,5-Diimino-1,2,4-triazolidin-4-yl)-N'-(4-ethoxyphenyl)ethanediamide (CAS 908809-86-9), with molecular formula C12H15N7O3 and molecular weight 305.12 g/mol. IUPAC: N'-(3,5-diamino-1,2,4-triazol-4-yl)-N-(4-ethoxyphenyl)oxamide.
Chemical Property Profile of N-(3,5-Diimino-1,2,4-triazolidin-4-yl)-N'-(4-ethoxyphenyl)ethanediamide
Property Insights of N-(3,5-Diimino-1,2,4-triazolidin-4-yl)-N'-(4-ethoxyphenyl)ethanediamide
The XLogP value of -0.1 indicates that N-(3,5-Diimino-1,2,4-triazolidin-4-yl)-N'-(4-ethoxyphenyl)ethanediamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 150.0 Ų indicates high polarity, suggesting N-(3,5-Diimino-1,2,4-triazolidin-4-yl)-N'-(4-ethoxyphenyl)ethanediamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(3,5-Diimino-1,2,4-triazolidin-4-yl)-N'-(4-ethoxyphenyl)ethanediamide has 4 hydrogen bond donor(s) and 7 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 N-(3,5-Diimino-1,2,4-triazolidin-4-yl)-N'-(4-ethoxyphenyl)ethanediamide?
The CAS number of N-(3,5-Diimino-1,2,4-triazolidin-4-yl)-N'-(4-ethoxyphenyl)ethanediamide is 908809-86-9.
What is the molecular formula of N-(3,5-Diimino-1,2,4-triazolidin-4-yl)-N'-(4-ethoxyphenyl)ethanediamide?
The molecular formula of N-(3,5-Diimino-1,2,4-triazolidin-4-yl)-N'-(4-ethoxyphenyl)ethanediamide is C12H15N7O3.
What is the molecular weight of N-(3,5-Diimino-1,2,4-triazolidin-4-yl)-N'-(4-ethoxyphenyl)ethanediamide?
The molecular weight of N-(3,5-Diimino-1,2,4-triazolidin-4-yl)-N'-(4-ethoxyphenyl)ethanediamide is 305.12 g/mol.
Where can I buy N-(3,5-Diimino-1,2,4-triazolidin-4-yl)-N'-(4-ethoxyphenyl)ethanediamide?
You can request a quote for N-(3,5-Diimino-1,2,4-triazolidin-4-yl)-N'-(4-ethoxyphenyl)ethanediamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,5-Diimino-1,2,4-triazolidin-4-yl)-N'-(4-ethoxyphenyl)ethanediamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,5-Diimino-1,2,4-triazolidin-4-yl)-N'-(4-ethoxyphenyl)ethanediamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.