Diethylquinoneimine
TL;DR: Diethylquinoneimine (CAS 108451-26-9) is a chemical compound with molecular formula C10H13NO and molecular weight 163.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-diethyl-4-iminocyclohexa-2,5-dien-1-one
Also Known As: Diethylquinoneimine, quinoneimine-diethyl, 2,6-Diethylquinoneimine, 2,6-diethylbenzoquinone imine, 3,5-Diethyl-p-benzoquinone-4-imine
| Molecular Formula | C10H13NO |
|---|---|
| Molecular Weight | 163.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.09972 |
| Heavy Atoms | 12 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 108451-26-9 |
|---|---|
| SMILES | CCC1=CC(=O)C=C(C1=N)CC |
| InChIKey | LIRQQKZNKBTPRG-UHFFFAOYSA-N |
Product Overview
Diethylquinoneimine (CAS 108451-26-9), with molecular formula C10H13NO and molecular weight 163.10 g/mol. IUPAC: 3,5-diethyl-4-iminocyclohexa-2,5-dien-1-one.
Chemical Property Profile of Diethylquinoneimine
Property Insights of Diethylquinoneimine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethylquinoneimine. With a topological polar surface area (TPSA) of 40.9 Ų, Diethylquinoneimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethylquinoneimine has 1 hydrogen bond donor(s) and 2 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 Diethylquinoneimine?
The CAS number of Diethylquinoneimine is 108451-26-9.
What is the molecular formula of Diethylquinoneimine?
The molecular formula of Diethylquinoneimine is C10H13NO.
What is the molecular weight of Diethylquinoneimine?
The molecular weight of Diethylquinoneimine is 163.10 g/mol.
Where can I buy Diethylquinoneimine?
You can request a quote for Diethylquinoneimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethylquinoneimine?
Yes, KEHONG BIO provides custom synthesis services for Diethylquinoneimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.