N'-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)-3,4-dimethoxybenzohydrazide
TL;DR: N'-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)-3,4-dimethoxybenzohydrazide (CAS 452089-41-7) is a chemical compound with molecular formula C17H22N2O4 and molecular weight 318.16 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)-3,4-dimethoxybenzohydrazide
Also Known As: N'-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)-3,4-dimethoxybenzohydrazide, AF-399/40768926, N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-3,4-dimethoxybenzohydrazide, (E)-N'-(3-hydroxy-5,5-dimethylcyclohex-2-en-1-ylidene)-3,4-dimethoxybenzohydrazide, N'-[(1E)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-ylidene]-3,4-dimethoxybenzohydrazide
| Molecular Formula | C17H22N2O4 |
|---|---|
| Molecular Weight | 318.16 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.15796 |
| Heavy Atoms | 23 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 452089-41-7 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)NNC(=O)C2=CC(=C(C=C2)OC)OC)C |
| InChIKey | ZTJZAGGAESNMSR-UHFFFAOYSA-N |
Product Overview
N'-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)-3,4-dimethoxybenzohydrazide (CAS 452089-41-7), with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol. IUPAC: N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-3,4-dimethoxybenzohydrazide.
Chemical Property Profile of N'-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)-3,4-dimethoxybenzohydrazide
Property Insights of N'-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)-3,4-dimethoxybenzohydrazide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)-3,4-dimethoxybenzohydrazide. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)-3,4-dimethoxybenzohydrazide. Following Lipinski's Rule of Five, N'-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)-3,4-dimethoxybenzohydrazide has 2 hydrogen bond donor(s) and 5 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-oxocyclohex-1-en-1-yl)-3,4-dimethoxybenzohydrazide?
The CAS number of N'-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)-3,4-dimethoxybenzohydrazide is 452089-41-7.
What is the molecular formula of N'-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)-3,4-dimethoxybenzohydrazide?
The molecular formula of N'-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)-3,4-dimethoxybenzohydrazide is C17H22N2O4.
What is the molecular weight of N'-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)-3,4-dimethoxybenzohydrazide?
The molecular weight of N'-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)-3,4-dimethoxybenzohydrazide is 318.16 g/mol.
Where can I buy N'-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)-3,4-dimethoxybenzohydrazide?
You can request a quote for N'-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)-3,4-dimethoxybenzohydrazide 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-oxocyclohex-1-en-1-yl)-3,4-dimethoxybenzohydrazide?
Yes, KEHONG BIO provides custom synthesis services for N'-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)-3,4-dimethoxybenzohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.