![2-[(5,5-Dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]guanidine structure](/static/products/5813/58137-29-4.webp)
2-[(5,5-Dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]guanidine
TL;DR: 2-[(5,5-Dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]guanidine (CAS 58137-29-4) is a chemical compound with molecular formula C17H22N4O2 and molecular weight 314.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5,5-dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]guanidine
Also Known As: 2-[(5,5-dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]guanidine, 2-[(5,5-dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]guani, HYDRAZINECARBOXIMIDAMIDE,2-[5,5-DIMETHYL-3-OXO-2-(2-OXO-2-PHENYLETHYL)-1-CYCLOHEXEN-1-YL]-, N''-[5,5-Dimethyl-3-oxo-2-(2-oxo-2-phenylethyl)cyclohex-1-en-1-yl]carbonohydrazonic diamide
| Molecular Formula | C17H22N4O2 |
|---|---|
| Molecular Weight | 314.17 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.1743 |
| Heavy Atoms | 23 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 58137-29-4 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)CC(=O)C2=CC=CC=C2)NN=C(N)N)C |
| InChIKey | VTDUVDKBMAIMIR-UHFFFAOYSA-N |
Product Overview
2-[(5,5-Dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]guanidine (CAS 58137-29-4), with molecular formula C17H22N4O2 and molecular weight 314.17 g/mol. IUPAC: 2-[(5,5-dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]guanidine.
Chemical Property Profile of 2-[(5,5-Dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]guanidine
Property Insights of 2-[(5,5-Dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]guanidine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5,5-Dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]guanidine. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5,5-Dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]guanidine. Following Lipinski's Rule of Five, 2-[(5,5-Dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]guanidine has 3 hydrogen bond donor(s) and 4 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 2-[(5,5-Dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]guanidine?
The CAS number of 2-[(5,5-Dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]guanidine is 58137-29-4.
What is the molecular formula of 2-[(5,5-Dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]guanidine?
The molecular formula of 2-[(5,5-Dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]guanidine is C17H22N4O2.
What is the molecular weight of 2-[(5,5-Dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]guanidine?
The molecular weight of 2-[(5,5-Dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]guanidine is 314.17 g/mol.
Where can I buy 2-[(5,5-Dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]guanidine?
You can request a quote for 2-[(5,5-Dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5,5-Dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]guanidine?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5,5-Dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.