(4-Methylhexan-2-ylideneamino)urea
TL;DR: (4-Methylhexan-2-ylideneamino)urea (CAS 13777-67-8) is a chemical compound with molecular formula C8H17N3O and molecular weight 171.13716 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methylhexan-2-ylideneamino)urea
Also Known As: (4-methylhexan-2-ylideneamino)urea, 4-methyl-hexan-2-one semicarbazone, [(Z)-4-methylhexan-2-ylideneamino]urea, 2-(4-methylhexan-2-ylidene)hydrazinecarboxamide, 2-(4-Methylhexan-2-ylidene)hydrazine-1-carboximidic acid
Technical Specifications
| Molecular Formula | C8H17N3O |
| Molecular Weight | 171.13716 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 67.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 171.13716 Da |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
| SMILES | CCC(C)CC(=NNC(=O)N)C |
| InChIKey | PFHXAAMUZKXCPD-UHFFFAOYSA-N |
Chemical Property Profile of (4-Methylhexan-2-ylideneamino)urea
Property Insights of (4-Methylhexan-2-ylideneamino)urea
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methylhexan-2-ylideneamino)urea. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Methylhexan-2-ylideneamino)urea. Following Lipinski's Rule of Five, (4-Methylhexan-2-ylideneamino)urea has 2 hydrogen bond donor(s) and 2 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-Methylhexan-2-ylideneamino)urea?
The CAS number of (4-Methylhexan-2-ylideneamino)urea is 13777-67-8.
What is the molecular formula of (4-Methylhexan-2-ylideneamino)urea?
The molecular formula of (4-Methylhexan-2-ylideneamino)urea is C8H17N3O.
What is the molecular weight of (4-Methylhexan-2-ylideneamino)urea?
The molecular weight of (4-Methylhexan-2-ylideneamino)urea is 171.13716 g/mol.
Where can I buy (4-Methylhexan-2-ylideneamino)urea?
You can request a quote for (4-Methylhexan-2-ylideneamino)urea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-Methylhexan-2-ylideneamino)urea?
Yes, CoreyChem provides custom synthesis services for (4-Methylhexan-2-ylideneamino)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.