4-methyl-4-semicarbazido-pentan-2-one semicarbazone
TL;DR: 4-methyl-4-semicarbazido-pentan-2-one semicarbazone (CAS 1049978-21-3) is a chemical compound with molecular formula C8H18N6O2 and molecular weight 230.14912 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[(4E)-4-(carbamoylhydrazinylidene)-2-methylpentan-2-yl]amino]urea
Also Known As: 4-methyl-4-semicarbazido-pentan-2-one semicarbazone, Methyl-(, A-semicarbazino-isobutyl)-keton-semicarbazon, (2E)-2-[3-[2-(Aminocarbonyl)hydrazinyl]-1,3-dimethylbutylidene]hydrazinecarboxamide, (2E)-2-[4-(2-Carbamoylhydrazinyl)-4-methylpentan-2-ylidene]hydrazine-1-carboxamide
Technical Specifications
| Molecular Formula | C8H18N6O2 |
| Molecular Weight | 230.14912 g/mol |
| XLogP | -1.8 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 230.14912 Da |
| Heavy Atoms | 16 |
| Complexity | 299.0 |
| SMILES | C/C(=N\NC(=O)N)/CC(C)(C)NNC(=O)N |
| InChIKey | HOHZMPULCDNXQM-VZUCSPMQSA-N |
Chemical Property Profile of 4-methyl-4-semicarbazido-pentan-2-one semicarbazone
Property Insights of 4-methyl-4-semicarbazido-pentan-2-one semicarbazone
The XLogP value of -1.8 indicates that 4-methyl-4-semicarbazido-pentan-2-one semicarbazone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-4-semicarbazido-pentan-2-one semicarbazone. Following Lipinski's Rule of Five, 4-methyl-4-semicarbazido-pentan-2-one semicarbazone has 5 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-methyl-4-semicarbazido-pentan-2-one semicarbazone?
The CAS number of 4-methyl-4-semicarbazido-pentan-2-one semicarbazone is 1049978-21-3.
What is the molecular formula of 4-methyl-4-semicarbazido-pentan-2-one semicarbazone?
The molecular formula of 4-methyl-4-semicarbazido-pentan-2-one semicarbazone is C8H18N6O2.
What is the molecular weight of 4-methyl-4-semicarbazido-pentan-2-one semicarbazone?
The molecular weight of 4-methyl-4-semicarbazido-pentan-2-one semicarbazone is 230.14912 g/mol.
Where can I buy 4-methyl-4-semicarbazido-pentan-2-one semicarbazone?
You can request a quote for 4-methyl-4-semicarbazido-pentan-2-one semicarbazone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-methyl-4-semicarbazido-pentan-2-one semicarbazone?
Yes, CoreyChem provides custom synthesis services for 4-methyl-4-semicarbazido-pentan-2-one semicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.