1-N,4-N-dichloro-2-methylcyclohexa-2,5-diene-1,4-diimine
TL;DR: 1-N,4-N-dichloro-2-methylcyclohexa-2,5-diene-1,4-diimine (CAS 3029-60-5) is a chemical compound with molecular formula C7H6Cl2N2 and molecular weight 187.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,4-N-dichloro-2-methylcyclohexa-2,5-diene-1,4-diimine
Also Known As: 1-N,4-N-dichloro-2-methylcyclohexa-2,5-diene-1,4-diimine
| Molecular Formula | C7H6Cl2N2 |
|---|---|
| Molecular Weight | 187.99 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 24.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.9908 |
| Heavy Atoms | 11 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 3029-60-5 |
|---|---|
| SMILES | CC1=CC(=NCl)C=CC1=NCl |
| InChIKey | KLPNKFWJFUJVNH-UHFFFAOYSA-N |
Product Overview
1-N,4-N-dichloro-2-methylcyclohexa-2,5-diene-1,4-diimine (CAS 3029-60-5), with molecular formula C7H6Cl2N2 and molecular weight 187.99 g/mol. IUPAC: 1-N,4-N-dichloro-2-methylcyclohexa-2,5-diene-1,4-diimine.
Chemical Property Profile of 1-N,4-N-dichloro-2-methylcyclohexa-2,5-diene-1,4-diimine
Property Insights of 1-N,4-N-dichloro-2-methylcyclohexa-2,5-diene-1,4-diimine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-N,4-N-dichloro-2-methylcyclohexa-2,5-diene-1,4-diimine. With a topological polar surface area (TPSA) of 24.7 Ų, 1-N,4-N-dichloro-2-methylcyclohexa-2,5-diene-1,4-diimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-N,4-N-dichloro-2-methylcyclohexa-2,5-diene-1,4-diimine has 0 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 1-N,4-N-dichloro-2-methylcyclohexa-2,5-diene-1,4-diimine?
The CAS number of 1-N,4-N-dichloro-2-methylcyclohexa-2,5-diene-1,4-diimine is 3029-60-5.
What is the molecular formula of 1-N,4-N-dichloro-2-methylcyclohexa-2,5-diene-1,4-diimine?
The molecular formula of 1-N,4-N-dichloro-2-methylcyclohexa-2,5-diene-1,4-diimine is C7H6Cl2N2.
What is the molecular weight of 1-N,4-N-dichloro-2-methylcyclohexa-2,5-diene-1,4-diimine?
The molecular weight of 1-N,4-N-dichloro-2-methylcyclohexa-2,5-diene-1,4-diimine is 187.99 g/mol.
Where can I buy 1-N,4-N-dichloro-2-methylcyclohexa-2,5-diene-1,4-diimine?
You can request a quote for 1-N,4-N-dichloro-2-methylcyclohexa-2,5-diene-1,4-diimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-N,4-N-dichloro-2-methylcyclohexa-2,5-diene-1,4-diimine?
Yes, KEHONG BIO provides custom synthesis services for 1-N,4-N-dichloro-2-methylcyclohexa-2,5-diene-1,4-diimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.