3,5-Cyclohexadiene-1,2-diimine
TL;DR: 3,5-Cyclohexadiene-1,2-diimine (CAS 4710-40-1) is a chemical compound with molecular formula C6H6N2 and molecular weight 106.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexa-3,5-diene-1,2-diimine
Also Known As: o-benzoquinone diimine, alpha-Diiminobenzene, 1,2-benzoquinone diimine, 3,5-Cyclohexadiene-1,2-diimine, cyclohexa-3,5-diene-1,2-diimine
| Molecular Formula | C6H6N2 |
|---|---|
| Molecular Weight | 106.05 g/mol |
| LogP | 1.15194 |
| Topological Polar Surface Area | 47.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 106.0531 |
| Heavy Atoms | 8 |
| Complexity | 164.70522 |
Chemical Identifiers
| CAS Number | 4710-40-1 |
|---|---|
| SMILES | C1=CC(=N)C(=N)C=C1 |
Product Overview
3,5-Cyclohexadiene-1,2-diimine (CAS 4710-40-1), with molecular formula C6H6N2 and molecular weight 106.05 g/mol. IUPAC: cyclohexa-3,5-diene-1,2-diimine.
Chemical Property Profile of 3,5-Cyclohexadiene-1,2-diimine
Property Insights of 3,5-Cyclohexadiene-1,2-diimine
The XLogP value of 1.15194 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Cyclohexadiene-1,2-diimine. With a topological polar surface area (TPSA) of 47.7 Ų, 3,5-Cyclohexadiene-1,2-diimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Cyclohexadiene-1,2-diimine has 2 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 3,5-Cyclohexadiene-1,2-diimine?
The CAS number of 3,5-Cyclohexadiene-1,2-diimine is 4710-40-1.
What is the molecular formula of 3,5-Cyclohexadiene-1,2-diimine?
The molecular formula of 3,5-Cyclohexadiene-1,2-diimine is C6H6N2.
What is the molecular weight of 3,5-Cyclohexadiene-1,2-diimine?
The molecular weight of 3,5-Cyclohexadiene-1,2-diimine is 106.05 g/mol.
Where can I buy 3,5-Cyclohexadiene-1,2-diimine?
You can request a quote for 3,5-Cyclohexadiene-1,2-diimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Cyclohexadiene-1,2-diimine?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Cyclohexadiene-1,2-diimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.