N'-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)isonicotinohydrazide
TL;DR: N'-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)isonicotinohydrazide (CAS 70093-01-5) is a chemical compound with molecular formula C14H17N3O2 and molecular weight 259.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)pyridine-4-carbohydrazide
Also Known As: BAS 00931439, J3.569.072G, N'-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)isonicotinohydrazide, N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)pyridine-4-carbohydrazide, (E)-N'-(3-hydroxy-5,5-dimethylcyclohex-2-en-1-ylidene)isonicotinohydrazide
| Molecular Formula | C14H17N3O2 |
|---|---|
| Molecular Weight | 259.13 g/mol |
| LogP | 1.589 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.13208 |
| Heavy Atoms | 19 |
| Complexity | 520.75244 |
Chemical Identifiers
| CAS Number | 70093-01-5 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)NNC(=O)C2=CC=NC=C2)C |
Product Overview
N'-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)isonicotinohydrazide (CAS 70093-01-5), with molecular formula C14H17N3O2 and molecular weight 259.13 g/mol. IUPAC: N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)pyridine-4-carbohydrazide.
Chemical Property Profile of N'-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)isonicotinohydrazide
Property Insights of N'-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)isonicotinohydrazide
The XLogP value of 1.589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)isonicotinohydrazide. The TPSA of 71.09 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)isonicotinohydrazide. Following Lipinski's Rule of Five, N'-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)isonicotinohydrazide has 2 hydrogen bond donor(s) and 4 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'-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)isonicotinohydrazide?
The CAS number of N'-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)isonicotinohydrazide is 70093-01-5.
What is the molecular formula of N'-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)isonicotinohydrazide?
The molecular formula of N'-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)isonicotinohydrazide is C14H17N3O2.
What is the molecular weight of N'-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)isonicotinohydrazide?
The molecular weight of N'-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)isonicotinohydrazide is 259.13 g/mol.
Where can I buy N'-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)isonicotinohydrazide?
You can request a quote for N'-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)isonicotinohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)isonicotinohydrazide?
Yes, KEHONG BIO provides custom synthesis services for N'-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)isonicotinohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.