RefChem:1082600
TL;DR: RefChem:1082600 (CAS 40640-54-8) is a chemical compound with molecular formula C20H22N6O3 and molecular weight 394.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-[(2Z)-5,5-dimethyl-3-oxo-2-(phenylhydrazinylidene)cyclohexylidene]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-(phenylhydrazono)-, 2-methyl-6-oxo-1,6-dihydro-pyrimidine-5-carboxylic acid (5,5-dimethyl-3-oxo-3-phenylhydrazono-cyclohexylidene)-hydrazide, N-[[5,5-dimethyl-3-oxo-2-(phenylhydrazinylidene)cyclohexylidene]amino]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide, RefChem:1082600, BRN 0718414
| Molecular Formula | C20H22N6O3 |
|---|---|
| Molecular Weight | 394.18 g/mol |
| LogP | 2.02132 |
| Topological Polar Surface Area | 128.67 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.17532 |
| Heavy Atoms | 29 |
| Complexity | 1053.3862 |
Chemical Identifiers
| CAS Number | 40640-54-8 |
|---|---|
| SMILES | CC1=NC=C(C(=O)N1)C(=O)N/N=C/2\CC(CC(=O)\C2=N/NC3=CC=CC=C3)(C)C |
Product Overview
RefChem:1082600 (CAS 40640-54-8), with molecular formula C20H22N6O3 and molecular weight 394.18 g/mol. IUPAC: N-[(E)-[(2Z)-5,5-dimethyl-3-oxo-2-(phenylhydrazinylidene)cyclohexylidene]amino]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of RefChem:1082600
Property Insights of RefChem:1082600
The XLogP value of 2.02132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1082600. The TPSA of 128.67 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1082600. Following Lipinski's Rule of Five, RefChem:1082600 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:1082600?
The CAS number of RefChem:1082600 is 40640-54-8.
What is the molecular formula of RefChem:1082600?
The molecular formula of RefChem:1082600 is C20H22N6O3.
What is the molecular weight of RefChem:1082600?
The molecular weight of RefChem:1082600 is 394.18 g/mol.
Where can I buy RefChem:1082600?
You can request a quote for RefChem:1082600 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1082600?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1082600 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.