![[(3-Methyl-4-phenylbutan-2-ylidene)amino]urea structure](/static/products/916/91646-39-8.png)
[(3-Methyl-4-phenylbutan-2-ylidene)amino]urea
TL;DR: [(3-Methyl-4-phenylbutan-2-ylidene)amino]urea (CAS 91646-39-8) is a chemical compound with molecular formula C12H17N3O and molecular weight 219.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3-methyl-4-phenylbutan-2-ylidene)amino]urea
Also Known As: 3-methyl-4-phenyl-butan-2-one semicarbazone, [(3-methyl-4-phenylbutan-2-ylidene)amino]urea
| Molecular Formula | C12H17N3O |
|---|---|
| Molecular Weight | 219.14 g/mol |
| LogP | 1.9094 |
| Topological Polar Surface Area | 67.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.13716 |
| Heavy Atoms | 16 |
| Complexity | 373.11008 |
Chemical Identifiers
| CAS Number | 91646-39-8 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)C(=NNC(=O)N)C |
Product Overview
[(3-Methyl-4-phenylbutan-2-ylidene)amino]urea (CAS 91646-39-8), with molecular formula C12H17N3O and molecular weight 219.14 g/mol. IUPAC: [(3-methyl-4-phenylbutan-2-ylidene)amino]urea.
Chemical Property Profile of [(3-Methyl-4-phenylbutan-2-ylidene)amino]urea
Property Insights of [(3-Methyl-4-phenylbutan-2-ylidene)amino]urea
The XLogP value of 1.9094 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(3-Methyl-4-phenylbutan-2-ylidene)amino]urea. The TPSA of 67.48 Ų falls within the moderate polarity range, balancing permeability and solubility for [(3-Methyl-4-phenylbutan-2-ylidene)amino]urea. Following Lipinski's Rule of Five, [(3-Methyl-4-phenylbutan-2-ylidene)amino]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
Frequently Asked Questions
What is the CAS number of [(3-Methyl-4-phenylbutan-2-ylidene)amino]urea?
The CAS number of [(3-Methyl-4-phenylbutan-2-ylidene)amino]urea is 91646-39-8.
What is the molecular formula of [(3-Methyl-4-phenylbutan-2-ylidene)amino]urea?
The molecular formula of [(3-Methyl-4-phenylbutan-2-ylidene)amino]urea is C12H17N3O.
What is the molecular weight of [(3-Methyl-4-phenylbutan-2-ylidene)amino]urea?
The molecular weight of [(3-Methyl-4-phenylbutan-2-ylidene)amino]urea is 219.14 g/mol.
Where can I buy [(3-Methyl-4-phenylbutan-2-ylidene)amino]urea?
You can request a quote for [(3-Methyl-4-phenylbutan-2-ylidene)amino]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3-Methyl-4-phenylbutan-2-ylidene)amino]urea?
Yes, KEHONG BIO provides custom synthesis services for [(3-Methyl-4-phenylbutan-2-ylidene)amino]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.