2-(2-bromo-4-methylphenoxy)-N'-(3,3-dimethyl-5-oxocyclohexylidene)acetohydrazide
TL;DR: 2-(2-bromo-4-methylphenoxy)-N'-(3,3-dimethyl-5-oxocyclohexylidene)acetohydrazide (CAS 468074-70-6) is a chemical compound with molecular formula C17H21BrN2O3 and molecular weight 380.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-bromo-4-methylphenoxy)-N-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]acetamide
Also Known As: AN-329/40805626, 2-(2-bromo-4-methylphenoxy)-N'-(3,3-dimethyl-5-oxocyclohexylidene)acetohydrazide, 2-(2-bromo-4-methylphenoxy)-N'-[(1Z)-3,3-dimethyl-5-oxocyclohexylidene]acetohydrazide, 2-(2-bromo-4-methylphenoxy)-N-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]acetamide
| Molecular Formula | C17H21BrN2O3 |
|---|---|
| Molecular Weight | 380.07 g/mol |
| LogP | 3.38772 |
| Topological Polar Surface Area | 67.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.07355 |
| Heavy Atoms | 23 |
| Complexity | 653.2386 |
Chemical Identifiers
| CAS Number | 468074-70-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCC(=O)N/N=C/2\CC(=O)CC(C2)(C)C)Br |
Product Overview
2-(2-bromo-4-methylphenoxy)-N'-(3,3-dimethyl-5-oxocyclohexylidene)acetohydrazide (CAS 468074-70-6), with molecular formula C17H21BrN2O3 and molecular weight 380.07 g/mol. IUPAC: 2-(2-bromo-4-methylphenoxy)-N-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]acetamide.
Chemical Property Profile of 2-(2-bromo-4-methylphenoxy)-N'-(3,3-dimethyl-5-oxocyclohexylidene)acetohydrazide
Property Insights of 2-(2-bromo-4-methylphenoxy)-N'-(3,3-dimethyl-5-oxocyclohexylidene)acetohydrazide
The XLogP value of 3.38772 indicates that 2-(2-bromo-4-methylphenoxy)-N'-(3,3-dimethyl-5-oxocyclohexylidene)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-bromo-4-methylphenoxy)-N'-(3,3-dimethyl-5-oxocyclohexylidene)acetohydrazide. Following Lipinski's Rule of Five, 2-(2-bromo-4-methylphenoxy)-N'-(3,3-dimethyl-5-oxocyclohexylidene)acetohydrazide has 1 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 2-(2-bromo-4-methylphenoxy)-N'-(3,3-dimethyl-5-oxocyclohexylidene)acetohydrazide?
The CAS number of 2-(2-bromo-4-methylphenoxy)-N'-(3,3-dimethyl-5-oxocyclohexylidene)acetohydrazide is 468074-70-6.
What is the molecular formula of 2-(2-bromo-4-methylphenoxy)-N'-(3,3-dimethyl-5-oxocyclohexylidene)acetohydrazide?
The molecular formula of 2-(2-bromo-4-methylphenoxy)-N'-(3,3-dimethyl-5-oxocyclohexylidene)acetohydrazide is C17H21BrN2O3.
What is the molecular weight of 2-(2-bromo-4-methylphenoxy)-N'-(3,3-dimethyl-5-oxocyclohexylidene)acetohydrazide?
The molecular weight of 2-(2-bromo-4-methylphenoxy)-N'-(3,3-dimethyl-5-oxocyclohexylidene)acetohydrazide is 380.07 g/mol.
Where can I buy 2-(2-bromo-4-methylphenoxy)-N'-(3,3-dimethyl-5-oxocyclohexylidene)acetohydrazide?
You can request a quote for 2-(2-bromo-4-methylphenoxy)-N'-(3,3-dimethyl-5-oxocyclohexylidene)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-bromo-4-methylphenoxy)-N'-(3,3-dimethyl-5-oxocyclohexylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-bromo-4-methylphenoxy)-N'-(3,3-dimethyl-5-oxocyclohexylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.