5-(Isopropyl)-3-((5-methylisoxazol-3-YL)amino)cyclohex-2-EN-1-one
TL;DR: 5-(Isopropyl)-3-((5-methylisoxazol-3-YL)amino)cyclohex-2-EN-1-one (CAS 1022698-87-8) is a chemical compound with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-methyl-1,2-oxazol-3-yl)amino]-5-propan-2-ylcyclohex-2-en-1-one
Also Known As: 5-(ISOPROPYL)-3-((5-METHYLISOXAZOL-3-YL)AMINO)CYCLOHEX-2-EN-1-ONE, 3-[(5-methyl-1,2-oxazol-3-yl)amino]-5-propan-2-ylcyclohex-2-en-1-one, 5-isopropyl-3-[(5-methylisoxazol-3-yl)amino]cyclohex-2-en-1-one, 3-[(5-methyl-1,2-oxazol-3-yl)amino]-5-(propan-2-yl)cyclohex-2-en-1-one, 3-[(5-methyl-1,2-oxazol-3-yl)amino]-5-propan-2-yl-cyclohex-2-en-1-one
| Molecular Formula | C13H18N2O2 |
|---|---|
| Molecular Weight | 234.14 g/mol |
| LogP | 2.91392 |
| Topological Polar Surface Area | 55.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.13683 |
| Heavy Atoms | 17 |
| Complexity | 446.02686 |
Chemical Identifiers
| CAS Number | 1022698-87-8 |
|---|---|
| SMILES | CC1=CC(=NO1)NC2=CC(=O)CC(C2)C(C)C |
Product Overview
5-(Isopropyl)-3-((5-methylisoxazol-3-YL)amino)cyclohex-2-EN-1-one (CAS 1022698-87-8), with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol. IUPAC: 3-[(5-methyl-1,2-oxazol-3-yl)amino]-5-propan-2-ylcyclohex-2-en-1-one.
Chemical Property Profile of 5-(Isopropyl)-3-((5-methylisoxazol-3-YL)amino)cyclohex-2-EN-1-one
Property Insights of 5-(Isopropyl)-3-((5-methylisoxazol-3-YL)amino)cyclohex-2-EN-1-one
The XLogP value of 2.91392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Isopropyl)-3-((5-methylisoxazol-3-YL)amino)cyclohex-2-EN-1-one. With a topological polar surface area (TPSA) of 55.13 Ų, 5-(Isopropyl)-3-((5-methylisoxazol-3-YL)amino)cyclohex-2-EN-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Isopropyl)-3-((5-methylisoxazol-3-YL)amino)cyclohex-2-EN-1-one has 1 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 5-(Isopropyl)-3-((5-methylisoxazol-3-YL)amino)cyclohex-2-EN-1-one?
The CAS number of 5-(Isopropyl)-3-((5-methylisoxazol-3-YL)amino)cyclohex-2-EN-1-one is 1022698-87-8.
What is the molecular formula of 5-(Isopropyl)-3-((5-methylisoxazol-3-YL)amino)cyclohex-2-EN-1-one?
The molecular formula of 5-(Isopropyl)-3-((5-methylisoxazol-3-YL)amino)cyclohex-2-EN-1-one is C13H18N2O2.
What is the molecular weight of 5-(Isopropyl)-3-((5-methylisoxazol-3-YL)amino)cyclohex-2-EN-1-one?
The molecular weight of 5-(Isopropyl)-3-((5-methylisoxazol-3-YL)amino)cyclohex-2-EN-1-one is 234.14 g/mol.
Where can I buy 5-(Isopropyl)-3-((5-methylisoxazol-3-YL)amino)cyclohex-2-EN-1-one?
You can request a quote for 5-(Isopropyl)-3-((5-methylisoxazol-3-YL)amino)cyclohex-2-EN-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Isopropyl)-3-((5-methylisoxazol-3-YL)amino)cyclohex-2-EN-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(Isopropyl)-3-((5-methylisoxazol-3-YL)amino)cyclohex-2-EN-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.