4-(3-Methyl-5-isoxazolyl)-5-phenylcyclohexane-1,3-dione
TL;DR: 4-(3-Methyl-5-isoxazolyl)-5-phenylcyclohexane-1,3-dione (CAS 331965-87-8) is a chemical compound with molecular formula C16H15NO3 and molecular weight 269.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methyl-1,2-oxazol-5-yl)-5-phenylcyclohexane-1,3-dione
Also Known As: TimTec1_007132, BAS 00701535, 4-(3-methyl-1,2-oxazol-5-yl)-5-phenylcyclohexane-1,3-dione, 4-(3-methyl-5-isoxazolyl)-5-phenylcyclohexane-1,3-dione, 4-(3-Methyl-5-isoxazolyl)-5-phenyl-1,3-cyclohexanedione
| Molecular Formula | C16H15NO3 |
|---|---|
| Molecular Weight | 269.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.1052 |
| Heavy Atoms | 20 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 331965-87-8 |
|---|---|
| SMILES | CC1=NOC(=C1)C2C(CC(=O)CC2=O)C3=CC=CC=C3 |
| InChIKey | GZGDWGHQWNZRJL-UHFFFAOYSA-N |
Product Overview
4-(3-Methyl-5-isoxazolyl)-5-phenylcyclohexane-1,3-dione (CAS 331965-87-8), with molecular formula C16H15NO3 and molecular weight 269.11 g/mol. IUPAC: 4-(3-methyl-1,2-oxazol-5-yl)-5-phenylcyclohexane-1,3-dione.
Chemical Property Profile of 4-(3-Methyl-5-isoxazolyl)-5-phenylcyclohexane-1,3-dione
Property Insights of 4-(3-Methyl-5-isoxazolyl)-5-phenylcyclohexane-1,3-dione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Methyl-5-isoxazolyl)-5-phenylcyclohexane-1,3-dione. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Methyl-5-isoxazolyl)-5-phenylcyclohexane-1,3-dione. Following Lipinski's Rule of Five, 4-(3-Methyl-5-isoxazolyl)-5-phenylcyclohexane-1,3-dione has 0 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 4-(3-Methyl-5-isoxazolyl)-5-phenylcyclohexane-1,3-dione?
The CAS number of 4-(3-Methyl-5-isoxazolyl)-5-phenylcyclohexane-1,3-dione is 331965-87-8.
What is the molecular formula of 4-(3-Methyl-5-isoxazolyl)-5-phenylcyclohexane-1,3-dione?
The molecular formula of 4-(3-Methyl-5-isoxazolyl)-5-phenylcyclohexane-1,3-dione is C16H15NO3.
What is the molecular weight of 4-(3-Methyl-5-isoxazolyl)-5-phenylcyclohexane-1,3-dione?
The molecular weight of 4-(3-Methyl-5-isoxazolyl)-5-phenylcyclohexane-1,3-dione is 269.11 g/mol.
Where can I buy 4-(3-Methyl-5-isoxazolyl)-5-phenylcyclohexane-1,3-dione?
You can request a quote for 4-(3-Methyl-5-isoxazolyl)-5-phenylcyclohexane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Methyl-5-isoxazolyl)-5-phenylcyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Methyl-5-isoxazolyl)-5-phenylcyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.