![Methyl 2,2-dimethyl-5-[(3-methyl-5-isoxazolyl)carbonyl]-4,6-dioxocyclohexanecarboxylate structure](/static/products/173/173258-21-4.png)
Methyl 2,2-dimethyl-5-[(3-methyl-5-isoxazolyl)carbonyl]-4,6-dioxocyclohexanecarboxylate
TL;DR: Methyl 2,2-dimethyl-5-[(3-methyl-5-isoxazolyl)carbonyl]-4,6-dioxocyclohexanecarboxylate (CAS 173258-21-4) is a chemical compound with molecular formula C15H17NO6 and molecular weight 307.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2-dimethyl-5-(3-methyl-1,2-oxazole-5-carbonyl)-4,6-dioxocyclohexane-1-carboxylate
Also Known As: Methyl 2,2-dimethyl-5-[(3-methyl-5-isoxazolyl)carbonyl]-4,6-dioxocyclohexanecarboxylate, methyl 2,2-dimethyl-5-(3-methyl-1,2-oxazole-5-carbonyl)-4,6-dioxocyclohexane-1-carboxylate, methyl 2,2-dimethyl-5-(3-methylisoxazole-5-carbonyl)-4,6-dioxocyclohexanecarboxylate, methyl 2,2-dimethyl-5-[(3-methylisoxazol-5-yl)carbonyl]-4,6-dioxocyclohexaneca rboxylate
| Molecular Formula | C15H17NO6 |
|---|---|
| Molecular Weight | 307.11 g/mol |
| LogP | 1.13922 |
| Topological Polar Surface Area | 103.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.1056 |
| Heavy Atoms | 22 |
| Complexity | 656.7449 |
Chemical Identifiers
| CAS Number | 173258-21-4 |
|---|---|
| SMILES | CC1=NOC(=C1)C(=O)C2C(=O)CC(C(C2=O)C(=O)OC)(C)C |
Product Overview
Methyl 2,2-dimethyl-5-[(3-methyl-5-isoxazolyl)carbonyl]-4,6-dioxocyclohexanecarboxylate (CAS 173258-21-4), with molecular formula C15H17NO6 and molecular weight 307.11 g/mol. IUPAC: methyl 2,2-dimethyl-5-(3-methyl-1,2-oxazole-5-carbonyl)-4,6-dioxocyclohexane-1-carboxylate.
Chemical Property Profile of Methyl 2,2-dimethyl-5-[(3-methyl-5-isoxazolyl)carbonyl]-4,6-dioxocyclohexanecarboxylate
Property Insights of Methyl 2,2-dimethyl-5-[(3-methyl-5-isoxazolyl)carbonyl]-4,6-dioxocyclohexanecarboxylate
The XLogP value of 1.13922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,2-dimethyl-5-[(3-methyl-5-isoxazolyl)carbonyl]-4,6-dioxocyclohexanecarboxylate. The TPSA of 103.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2,2-dimethyl-5-[(3-methyl-5-isoxazolyl)carbonyl]-4,6-dioxocyclohexanecarboxylate. Following Lipinski's Rule of Five, Methyl 2,2-dimethyl-5-[(3-methyl-5-isoxazolyl)carbonyl]-4,6-dioxocyclohexanecarboxylate has 0 hydrogen bond donor(s) and 7 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 Methyl 2,2-dimethyl-5-[(3-methyl-5-isoxazolyl)carbonyl]-4,6-dioxocyclohexanecarboxylate?
The CAS number of Methyl 2,2-dimethyl-5-[(3-methyl-5-isoxazolyl)carbonyl]-4,6-dioxocyclohexanecarboxylate is 173258-21-4.
What is the molecular formula of Methyl 2,2-dimethyl-5-[(3-methyl-5-isoxazolyl)carbonyl]-4,6-dioxocyclohexanecarboxylate?
The molecular formula of Methyl 2,2-dimethyl-5-[(3-methyl-5-isoxazolyl)carbonyl]-4,6-dioxocyclohexanecarboxylate is C15H17NO6.
What is the molecular weight of Methyl 2,2-dimethyl-5-[(3-methyl-5-isoxazolyl)carbonyl]-4,6-dioxocyclohexanecarboxylate?
The molecular weight of Methyl 2,2-dimethyl-5-[(3-methyl-5-isoxazolyl)carbonyl]-4,6-dioxocyclohexanecarboxylate is 307.11 g/mol.
Where can I buy Methyl 2,2-dimethyl-5-[(3-methyl-5-isoxazolyl)carbonyl]-4,6-dioxocyclohexanecarboxylate?
You can request a quote for Methyl 2,2-dimethyl-5-[(3-methyl-5-isoxazolyl)carbonyl]-4,6-dioxocyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,2-dimethyl-5-[(3-methyl-5-isoxazolyl)carbonyl]-4,6-dioxocyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,2-dimethyl-5-[(3-methyl-5-isoxazolyl)carbonyl]-4,6-dioxocyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.