C13H14N6O3
TL;DR: C13H14N6O3 (CAS 956616-36-7) is a chemical compound with molecular formula C13H14N6O3 and molecular weight 302.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methyl-3-nitropyrazol-1-yl)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide
Also Known As: (E)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N'-(1-(pyridin-4-yl)ethylidene)acetohydrazide, 2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N'-[(1E)-1-(pyridin-4-yl)ethylidene]acetohydrazide
| Molecular Formula | C13H14N6O3 |
|---|---|
| Molecular Weight | 302.11 g/mol |
| LogP | 1.03512 |
| Topological Polar Surface Area | 115.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.11273 |
| Heavy Atoms | 22 |
| Complexity | 722.6316 |
Chemical Identifiers
| CAS Number | 956616-36-7 |
|---|---|
| SMILES | CC1=CC(=NN1CC(=O)N/N=C(\C)/C2=CC=NC=C2)[N+](=O)[O-] |
Product Overview
C13H14N6O3 (CAS 956616-36-7), with molecular formula C13H14N6O3 and molecular weight 302.11 g/mol. IUPAC: 2-(5-methyl-3-nitropyrazol-1-yl)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide.
Chemical Property Profile of C13H14N6O3
Property Insights of C13H14N6O3
The XLogP value of 1.03512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C13H14N6O3. The TPSA of 115.31 Ų falls within the moderate polarity range, balancing permeability and solubility for C13H14N6O3. Following Lipinski's Rule of Five, C13H14N6O3 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 C13H14N6O3?
The CAS number of C13H14N6O3 is 956616-36-7.
What is the molecular formula of C13H14N6O3?
The molecular formula of C13H14N6O3 is C13H14N6O3.
What is the molecular weight of C13H14N6O3?
The molecular weight of C13H14N6O3 is 302.11 g/mol.
Where can I buy C13H14N6O3?
You can request a quote for C13H14N6O3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C13H14N6O3?
Yes, KEHONG BIO provides custom synthesis services for C13H14N6O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.