Diethyl 2,2'-((2,2,4-trimethylhexane-1,6-diyl)bis(iminocarbonyl))diacetoacetate
TL;DR: Diethyl 2,2'-((2,2,4-trimethylhexane-1,6-diyl)bis(iminocarbonyl))diacetoacetate (CAS 65345-00-8) is a chemical compound with molecular formula C23H38N2O8 and molecular weight 470.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[6-[(2-ethoxycarbonyl-3-oxobutanoyl)amino]-3,5,5-trimethylhexyl]carbamoyl]-3-oxobutanoate
Also Known As: EINECS 265-706-5, diethyl2,2'-[bis]diacetoacetate, diethyl2,2'-[ bis ]diacetoacetate, Diethyl 2,2'-((2,2,4-trimethylhexane-1,6-diyl)bis(iminocarbonyl))diacetoacetate, ethyl 2-[[6-[(2-ethoxycarbonyl-3-oxobutanoyl)amino]-3,5,5-trimethylhexyl]carbamoyl]-3-oxobutanoate
| Molecular Formula | C23H38N2O8 |
|---|---|
| Molecular Weight | 470.26 g/mol |
| LogP | 1.1979 |
| Topological Polar Surface Area | 144.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 470.26282 |
| Heavy Atoms | 33 |
| Complexity | 731.973 |
Chemical Identifiers
| CAS Number | 65345-00-8 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C)C(=O)NCCC(C)CC(C)(C)CNC(=O)C(C(=O)C)C(=O)OCC |
Product Overview
Diethyl 2,2'-((2,2,4-trimethylhexane-1,6-diyl)bis(iminocarbonyl))diacetoacetate (CAS 65345-00-8), with molecular formula C23H38N2O8 and molecular weight 470.26 g/mol. IUPAC: ethyl 2-[[6-[(2-ethoxycarbonyl-3-oxobutanoyl)amino]-3,5,5-trimethylhexyl]carbamoyl]-3-oxobutanoate.
Chemical Property Profile of Diethyl 2,2'-((2,2,4-trimethylhexane-1,6-diyl)bis(iminocarbonyl))diacetoacetate
Property Insights of Diethyl 2,2'-((2,2,4-trimethylhexane-1,6-diyl)bis(iminocarbonyl))diacetoacetate
The XLogP value of 1.1979 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2,2'-((2,2,4-trimethylhexane-1,6-diyl)bis(iminocarbonyl))diacetoacetate. The TPSA of 144.94 Ų indicates high polarity, suggesting Diethyl 2,2'-((2,2,4-trimethylhexane-1,6-diyl)bis(iminocarbonyl))diacetoacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diethyl 2,2'-((2,2,4-trimethylhexane-1,6-diyl)bis(iminocarbonyl))diacetoacetate has 2 hydrogen bond donor(s) and 8 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 Diethyl 2,2'-((2,2,4-trimethylhexane-1,6-diyl)bis(iminocarbonyl))diacetoacetate?
The CAS number of Diethyl 2,2'-((2,2,4-trimethylhexane-1,6-diyl)bis(iminocarbonyl))diacetoacetate is 65345-00-8.
What is the molecular formula of Diethyl 2,2'-((2,2,4-trimethylhexane-1,6-diyl)bis(iminocarbonyl))diacetoacetate?
The molecular formula of Diethyl 2,2'-((2,2,4-trimethylhexane-1,6-diyl)bis(iminocarbonyl))diacetoacetate is C23H38N2O8.
What is the molecular weight of Diethyl 2,2'-((2,2,4-trimethylhexane-1,6-diyl)bis(iminocarbonyl))diacetoacetate?
The molecular weight of Diethyl 2,2'-((2,2,4-trimethylhexane-1,6-diyl)bis(iminocarbonyl))diacetoacetate is 470.26 g/mol.
Where can I buy Diethyl 2,2'-((2,2,4-trimethylhexane-1,6-diyl)bis(iminocarbonyl))diacetoacetate?
You can request a quote for Diethyl 2,2'-((2,2,4-trimethylhexane-1,6-diyl)bis(iminocarbonyl))diacetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,2'-((2,2,4-trimethylhexane-1,6-diyl)bis(iminocarbonyl))diacetoacetate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,2'-((2,2,4-trimethylhexane-1,6-diyl)bis(iminocarbonyl))diacetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.