methyl 3-butyryl-6,6-dimethyl-4-(methyl(phenyl)amino)-2-oxocyclohex-3-enecarboxylate
TL;DR: methyl 3-butyryl-6,6-dimethyl-4-(methyl(phenyl)amino)-2-oxocyclohex-3-enecarboxylate (CAS 300834-01-9) is a chemical compound with molecular formula C21H27NO4 and molecular weight 357.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-butanoyl-6,6-dimethyl-4-(N-methylanilino)-2-oxocyclohex-3-ene-1-carboxylate
Also Known As: methyl 3-butyryl-6,6-dimethyl-4-(methyl(phenyl)amino)-2-oxocyclohex-3-enecarboxylate, methyl 3-butanoyl-6,6-dimethyl-4-(N-methylanilino)-2-oxocyclohex-3-ene-1-carboxylate, methyl 3-butanoyl-6,6-dimethyl-4-[methyl(phenyl)amino]-2-oxocyclohex-3-ene-1-carboxylate
| Molecular Formula | C21H27NO4 |
|---|---|
| Molecular Weight | 357.19 g/mol |
| LogP | 3.5343 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.194 |
| Heavy Atoms | 26 |
| Complexity | 733.6378 |
Chemical Identifiers
| CAS Number | 300834-01-9 |
|---|---|
| SMILES | CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)N(C)C2=CC=CC=C2 |
Product Overview
methyl 3-butyryl-6,6-dimethyl-4-(methyl(phenyl)amino)-2-oxocyclohex-3-enecarboxylate (CAS 300834-01-9), with molecular formula C21H27NO4 and molecular weight 357.19 g/mol. IUPAC: methyl 3-butanoyl-6,6-dimethyl-4-(N-methylanilino)-2-oxocyclohex-3-ene-1-carboxylate.
Chemical Property Profile of methyl 3-butyryl-6,6-dimethyl-4-(methyl(phenyl)amino)-2-oxocyclohex-3-enecarboxylate
Property Insights of methyl 3-butyryl-6,6-dimethyl-4-(methyl(phenyl)amino)-2-oxocyclohex-3-enecarboxylate
The XLogP value of 3.5343 indicates that methyl 3-butyryl-6,6-dimethyl-4-(methyl(phenyl)amino)-2-oxocyclohex-3-enecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-butyryl-6,6-dimethyl-4-(methyl(phenyl)amino)-2-oxocyclohex-3-enecarboxylate. Following Lipinski's Rule of Five, methyl 3-butyryl-6,6-dimethyl-4-(methyl(phenyl)amino)-2-oxocyclohex-3-enecarboxylate has 0 hydrogen bond donor(s) and 5 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 3-butyryl-6,6-dimethyl-4-(methyl(phenyl)amino)-2-oxocyclohex-3-enecarboxylate?
The CAS number of methyl 3-butyryl-6,6-dimethyl-4-(methyl(phenyl)amino)-2-oxocyclohex-3-enecarboxylate is 300834-01-9.
What is the molecular formula of methyl 3-butyryl-6,6-dimethyl-4-(methyl(phenyl)amino)-2-oxocyclohex-3-enecarboxylate?
The molecular formula of methyl 3-butyryl-6,6-dimethyl-4-(methyl(phenyl)amino)-2-oxocyclohex-3-enecarboxylate is C21H27NO4.
What is the molecular weight of methyl 3-butyryl-6,6-dimethyl-4-(methyl(phenyl)amino)-2-oxocyclohex-3-enecarboxylate?
The molecular weight of methyl 3-butyryl-6,6-dimethyl-4-(methyl(phenyl)amino)-2-oxocyclohex-3-enecarboxylate is 357.19 g/mol.
Where can I buy methyl 3-butyryl-6,6-dimethyl-4-(methyl(phenyl)amino)-2-oxocyclohex-3-enecarboxylate?
You can request a quote for methyl 3-butyryl-6,6-dimethyl-4-(methyl(phenyl)amino)-2-oxocyclohex-3-enecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-butyryl-6,6-dimethyl-4-(methyl(phenyl)amino)-2-oxocyclohex-3-enecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-butyryl-6,6-dimethyl-4-(methyl(phenyl)amino)-2-oxocyclohex-3-enecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.