Bionet1_004006
TL;DR: Bionet1_004006 (CAS 477710-16-0) is a chemical compound with molecular formula C17H18N6O3 and molecular weight 354.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dimethyl-4-propylpyrazol-1-yl)-N-(2-nitroanilino)-2-oxoethanimidoyl cyanide
Also Known As: Bionet1_004006, DivK1c_002502, CDS1_001462, 3-(3,5-dimethyl-4-propyl-1H-pyrazol-1-yl)-2-[(E)-2-(2-nitrophenyl)hydrazono]-3-oxopropanenitrile, 2-(3,5-dimethyl-4-propylpyrazol-1-yl)-N-(2-nitroanilino)-2-oxoethanimidoyl cyanide
| Molecular Formula | C17H18N6O3 |
|---|---|
| Molecular Weight | 354.14 g/mol |
| LogP | 2.99252 |
| Topological Polar Surface Area | 126.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.14404 |
| Heavy Atoms | 26 |
| Complexity | 923.0648 |
Chemical Identifiers
| CAS Number | 477710-16-0 |
|---|---|
| SMILES | CCCC1=C(N(N=C1C)C(=O)C(=NNC2=CC=CC=C2[N+](=O)[O-])C#N)C |
Product Overview
Bionet1_004006 (CAS 477710-16-0), with molecular formula C17H18N6O3 and molecular weight 354.14 g/mol. IUPAC: 2-(3,5-dimethyl-4-propylpyrazol-1-yl)-N-(2-nitroanilino)-2-oxoethanimidoyl cyanide.
Chemical Property Profile of Bionet1_004006
Property Insights of Bionet1_004006
The XLogP value of 2.99252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_004006. The TPSA of 126.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_004006. Following Lipinski's Rule of Five, Bionet1_004006 has 1 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 Bionet1_004006?
The CAS number of Bionet1_004006 is 477710-16-0.
What is the molecular formula of Bionet1_004006?
The molecular formula of Bionet1_004006 is C17H18N6O3.
What is the molecular weight of Bionet1_004006?
The molecular weight of Bionet1_004006 is 354.14 g/mol.
Where can I buy Bionet1_004006?
You can request a quote for Bionet1_004006 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004006?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004006 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.