![methyl 3-butanoyl-4-[4-(2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxocyclohexen-1-yl)piperazin-1-yl]-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate structure](/static/products/4135/413594-11-3.webp)
methyl 3-butanoyl-4-[4-(2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxocyclohexen-1-yl)piperazin-1-yl]-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate
TL;DR: methyl 3-butanoyl-4-[4-(2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxocyclohexen-1-yl)piperazin-1-yl]-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate (CAS 413594-11-3) is a chemical compound with molecular formula C32H46N2O8 and molecular weight 586.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-butanoyl-4-[4-(2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxocyclohexen-1-yl)piperazin-1-yl]-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate
Also Known As: methyl 3-butanoyl-4-[4-(2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxocyclohexen-1-yl)piperazin-1-yl]-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate, dimethyl 4,4'-(piperazine-1,4-diyl)bis(3-butyryl-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate), dimethyl 4,4'-piperazine-1,4-diylbis(3-butanoyl-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate)
| Molecular Formula | C32H46N2O8 |
|---|---|
| Molecular Weight | 586.33 g/mol |
| LogP | 3.427 |
| Topological Polar Surface Area | 127.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 586.32544 |
| Heavy Atoms | 42 |
| Complexity | 1122.74 |
Chemical Identifiers
| CAS Number | 413594-11-3 |
|---|---|
| SMILES | CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)N2CCN(CC2)C3=C(C(=O)C(C(C3)(C)C)C(=O)OC)C(=O)CCC |
Product Overview
methyl 3-butanoyl-4-[4-(2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxocyclohexen-1-yl)piperazin-1-yl]-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate (CAS 413594-11-3), with molecular formula C32H46N2O8 and molecular weight 586.33 g/mol. IUPAC: methyl 3-butanoyl-4-[4-(2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxocyclohexen-1-yl)piperazin-1-yl]-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate.
Chemical Property Profile of methyl 3-butanoyl-4-[4-(2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxocyclohexen-1-yl)piperazin-1-yl]-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate
Property Insights of methyl 3-butanoyl-4-[4-(2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxocyclohexen-1-yl)piperazin-1-yl]-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate
The XLogP value of 3.427 indicates that methyl 3-butanoyl-4-[4-(2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxocyclohexen-1-yl)piperazin-1-yl]-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.36 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-butanoyl-4-[4-(2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxocyclohexen-1-yl)piperazin-1-yl]-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate. Following Lipinski's Rule of Five, methyl 3-butanoyl-4-[4-(2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxocyclohexen-1-yl)piperazin-1-yl]-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 3-butanoyl-4-[4-(2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxocyclohexen-1-yl)piperazin-1-yl]-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate?
The CAS number of methyl 3-butanoyl-4-[4-(2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxocyclohexen-1-yl)piperazin-1-yl]-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate is 413594-11-3.
What is the molecular formula of methyl 3-butanoyl-4-[4-(2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxocyclohexen-1-yl)piperazin-1-yl]-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate?
The molecular formula of methyl 3-butanoyl-4-[4-(2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxocyclohexen-1-yl)piperazin-1-yl]-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate is C32H46N2O8.
What is the molecular weight of methyl 3-butanoyl-4-[4-(2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxocyclohexen-1-yl)piperazin-1-yl]-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate?
The molecular weight of methyl 3-butanoyl-4-[4-(2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxocyclohexen-1-yl)piperazin-1-yl]-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate is 586.33 g/mol.
Where can I buy methyl 3-butanoyl-4-[4-(2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxocyclohexen-1-yl)piperazin-1-yl]-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate?
You can request a quote for methyl 3-butanoyl-4-[4-(2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxocyclohexen-1-yl)piperazin-1-yl]-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-butanoyl-4-[4-(2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxocyclohexen-1-yl)piperazin-1-yl]-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-butanoyl-4-[4-(2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxocyclohexen-1-yl)piperazin-1-yl]-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.