![[(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino]urea structure](/static/products/914/914910-49-9.png)
[(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino]urea
TL;DR: [(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino]urea (CAS 914910-49-9) is a chemical compound with molecular formula C10H17N3O and molecular weight 195.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]urea
Also Known As: Isophorone semicarbazone, [(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]urea, 3,5,5-Trimethyl-2-cyclohexen-1-one semicarbazone, 2-Cyclohexen-1-one, 3,5,5-trimethyl-, semicarbazone, (1Z)-3,5,5-Trimethyl-2-cyclohexen-1-one semicarbazone #
| Molecular Formula | C10H17N3O |
|---|---|
| Molecular Weight | 195.14 g/mol |
| LogP | 1.777 |
| Topological Polar Surface Area | 67.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.13716 |
| Heavy Atoms | 14 |
| Complexity | 302.48898 |
Chemical Identifiers
| CAS Number | 914910-49-9 |
|---|---|
| SMILES | CC1=C/C(=N\NC(=O)N)/CC(C1)(C)C |
Product Overview
[(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino]urea (CAS 914910-49-9), with molecular formula C10H17N3O and molecular weight 195.14 g/mol. IUPAC: [(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]urea.
Chemical Property Profile of [(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino]urea
Property Insights of [(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino]urea
The XLogP value of 1.777 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino]urea. The TPSA of 67.48 Ų falls within the moderate polarity range, balancing permeability and solubility for [(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino]urea. Following Lipinski's Rule of Five, [(3,5,5-Trimethylcyclohex-2-en-1-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 [(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino]urea?
The CAS number of [(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino]urea is 914910-49-9.
What is the molecular formula of [(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino]urea?
The molecular formula of [(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino]urea is C10H17N3O.
What is the molecular weight of [(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino]urea?
The molecular weight of [(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino]urea is 195.14 g/mol.
Where can I buy [(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino]urea?
You can request a quote for [(3,5,5-Trimethylcyclohex-2-en-1-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 [(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino]urea?
Yes, KEHONG BIO provides custom synthesis services for [(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.