RefChem:1082599
TL;DR: RefChem:1082599 (CAS 40640-55-9) is a chemical compound with molecular formula C21H24N6O3 and molecular weight 408.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-[(2Z)-5,5-dimethyl-2-[(4-methylphenyl)hydrazinylidene]-3-oxocyclohexylidene]amino]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
Also Known As: Cyclohexanone, 5,5-dimethyl-3-((4-hydroxy-3-methyl-5-pyrimidinyl)carbonyl)hydrazono-2-(p-tolylhydrazono)-, 5-Pyrimidinecarboxylic acid, 1,4-dihydro-2-methyl-4-oxo-, [5,5-dimethyl-2-[(4-methylphenyl)hydrazono]-3-oxocyclohexylidene]hydrazide, RefChem:1082599, BRN 0720083
| Molecular Formula | C21H24N6O3 |
|---|---|
| Molecular Weight | 408.19 g/mol |
| LogP | 2.32974 |
| Topological Polar Surface Area | 128.67 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.19098 |
| Heavy Atoms | 30 |
| Complexity | 1096.47 |
Chemical Identifiers
| CAS Number | 40640-55-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N/N=C\2/C(=N/NC(=O)C3=CN=C(NC3=O)C)/CC(CC2=O)(C)C |
Product Overview
RefChem:1082599 (CAS 40640-55-9), with molecular formula C21H24N6O3 and molecular weight 408.19 g/mol. IUPAC: N-[(E)-[(2Z)-5,5-dimethyl-2-[(4-methylphenyl)hydrazinylidene]-3-oxocyclohexylidene]amino]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of RefChem:1082599
Property Insights of RefChem:1082599
The XLogP value of 2.32974 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1082599. The TPSA of 128.67 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1082599. Following Lipinski's Rule of Five, RefChem:1082599 has 3 hydrogen bond donor(s) and 7 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 RefChem:1082599?
The CAS number of RefChem:1082599 is 40640-55-9.
What is the molecular formula of RefChem:1082599?
The molecular formula of RefChem:1082599 is C21H24N6O3.
What is the molecular weight of RefChem:1082599?
The molecular weight of RefChem:1082599 is 408.19 g/mol.
Where can I buy RefChem:1082599?
You can request a quote for RefChem:1082599 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1082599?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1082599 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.