N'-(propan-2-ylidene)isonicotinohydrazide
TL;DR: N'-(propan-2-ylidene)isonicotinohydrazide (CAS 4813-04-1) is a chemical compound with molecular formula C9H11N3O and molecular weight 177.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(propan-2-ylideneamino)pyridine-4-carboxamide
Also Known As: Acetone isonicotinoyl hydrazone, acetone isonicotinoylhydrazone, N'-Propylisonicotinohydrazide, 2-Propanoneisonicotinoylhydrazone, n'-isopropylideneisonicotinohydrazide
| Molecular Formula | C9H11N3O |
|---|---|
| Molecular Weight | 177.09 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.09021 |
| Heavy Atoms | 13 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 4813-04-1 |
|---|---|
| SMILES | CC(=NNC(=O)C1=CC=NC=C1)C |
| InChIKey | LRCPYBHPYVZWBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N'-(propan-2-ylidene)isonicotinohydrazide (CAS 4813-04-1), with molecular formula C9H11N3O and molecular weight 177.09 g/mol. IUPAC: N-(propan-2-ylideneamino)pyridine-4-carboxamide.
Chemical Property Profile of N'-(propan-2-ylidene)isonicotinohydrazide
Property Insights of N'-(propan-2-ylidene)isonicotinohydrazide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-(propan-2-ylidene)isonicotinohydrazide. With a topological polar surface area (TPSA) of 54.4 Ų, N'-(propan-2-ylidene)isonicotinohydrazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-(propan-2-ylidene)isonicotinohydrazide has 1 hydrogen bond donor(s) and 3 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'-(propan-2-ylidene)isonicotinohydrazide?
The CAS number of N'-(propan-2-ylidene)isonicotinohydrazide is 4813-04-1.
What is the molecular formula of N'-(propan-2-ylidene)isonicotinohydrazide?
The molecular formula of N'-(propan-2-ylidene)isonicotinohydrazide is C9H11N3O.
What is the molecular weight of N'-(propan-2-ylidene)isonicotinohydrazide?
The molecular weight of N'-(propan-2-ylidene)isonicotinohydrazide is 177.09 g/mol.
Where can I buy N'-(propan-2-ylidene)isonicotinohydrazide?
You can request a quote for N'-(propan-2-ylidene)isonicotinohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(propan-2-ylidene)isonicotinohydrazide?
Yes, KEHONG BIO provides custom synthesis services for N'-(propan-2-ylidene)isonicotinohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.