![1,1'-[Ethane-1,2-diylbis(6-methyl-3-nitrocyclohex-6-ene-3,1-diyl)]di(ethan-1-one) structure](/static/products/7404/7404-80-0.webp)
1,1'-[Ethane-1,2-diylbis(6-methyl-3-nitrocyclohex-6-ene-3,1-diyl)]di(ethan-1-one)
TL;DR: 1,1'-[Ethane-1,2-diylbis(6-methyl-3-nitrocyclohex-6-ene-3,1-diyl)]di(ethan-1-one) (CAS 7404-80-0) is a chemical compound with molecular formula C20H28N2O6 and molecular weight 392.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[2-(3-acetyl-4-methyl-1-nitrocyclohex-3-en-1-yl)ethyl]-2-methyl-5-nitrocyclohexen-1-yl]ethanone
Also Known As: 1,1'-[Ethane-1,2-diylbis(6-methyl-3-nitrocyclohex-6-ene-3,1-diyl)]di(ethan-1-one), 1-[5-[2-(3-acetyl-4-methyl-1-nitrocyclohex-3-en-1-yl)ethyl]-, 1-[5-[2-(3-acetyl-4-methyl-1-nitrocyclohex-3-en-1-yl)ethyl]-2-methyl-5-nitrocyclohexen-1-yl]ethanone
| Molecular Formula | C20H28N2O6 |
|---|---|
| Molecular Weight | 392.19 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.19473 |
| Heavy Atoms | 28 |
| Complexity | 719.0 |
Chemical Identifiers
| CAS Number | 7404-80-0 |
|---|---|
| SMILES | CC1=C(CC(CC1)(CCC2(CCC(=C(C2)C(=O)C)C)[N+](=O)[O-])[N+](=O)[O-])C(=O)C |
| InChIKey | LSYLXJKNHAOQKI-UHFFFAOYSA-N |
Product Overview
1,1'-[Ethane-1,2-diylbis(6-methyl-3-nitrocyclohex-6-ene-3,1-diyl)]di(ethan-1-one) (CAS 7404-80-0), with molecular formula C20H28N2O6 and molecular weight 392.19 g/mol. IUPAC: 1-[5-[2-(3-acetyl-4-methyl-1-nitrocyclohex-3-en-1-yl)ethyl]-2-methyl-5-nitrocyclohexen-1-yl]ethanone.
Chemical Property Profile of 1,1'-[Ethane-1,2-diylbis(6-methyl-3-nitrocyclohex-6-ene-3,1-diyl)]di(ethan-1-one)
Property Insights of 1,1'-[Ethane-1,2-diylbis(6-methyl-3-nitrocyclohex-6-ene-3,1-diyl)]di(ethan-1-one)
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-[Ethane-1,2-diylbis(6-methyl-3-nitrocyclohex-6-ene-3,1-diyl)]di(ethan-1-one). The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-[Ethane-1,2-diylbis(6-methyl-3-nitrocyclohex-6-ene-3,1-diyl)]di(ethan-1-one). Following Lipinski's Rule of Five, 1,1'-[Ethane-1,2-diylbis(6-methyl-3-nitrocyclohex-6-ene-3,1-diyl)]di(ethan-1-one) has 0 hydrogen bond donor(s) and 6 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 1,1'-[Ethane-1,2-diylbis(6-methyl-3-nitrocyclohex-6-ene-3,1-diyl)]di(ethan-1-one)?
The CAS number of 1,1'-[Ethane-1,2-diylbis(6-methyl-3-nitrocyclohex-6-ene-3,1-diyl)]di(ethan-1-one) is 7404-80-0.
What is the molecular formula of 1,1'-[Ethane-1,2-diylbis(6-methyl-3-nitrocyclohex-6-ene-3,1-diyl)]di(ethan-1-one)?
The molecular formula of 1,1'-[Ethane-1,2-diylbis(6-methyl-3-nitrocyclohex-6-ene-3,1-diyl)]di(ethan-1-one) is C20H28N2O6.
What is the molecular weight of 1,1'-[Ethane-1,2-diylbis(6-methyl-3-nitrocyclohex-6-ene-3,1-diyl)]di(ethan-1-one)?
The molecular weight of 1,1'-[Ethane-1,2-diylbis(6-methyl-3-nitrocyclohex-6-ene-3,1-diyl)]di(ethan-1-one) is 392.19 g/mol.
Where can I buy 1,1'-[Ethane-1,2-diylbis(6-methyl-3-nitrocyclohex-6-ene-3,1-diyl)]di(ethan-1-one)?
You can request a quote for 1,1'-[Ethane-1,2-diylbis(6-methyl-3-nitrocyclohex-6-ene-3,1-diyl)]di(ethan-1-one) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-[Ethane-1,2-diylbis(6-methyl-3-nitrocyclohex-6-ene-3,1-diyl)]di(ethan-1-one)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-[Ethane-1,2-diylbis(6-methyl-3-nitrocyclohex-6-ene-3,1-diyl)]di(ethan-1-one) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.