C12H6Cl2N6
TL;DR: C12H6Cl2N6 (CAS 846586-83-2) is a chemical compound with molecular formula C12H6Cl2N6 and molecular weight 304.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: 7-(3,4-dichlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine, 3-(3,4-dichlorophenyl)-6-hydropyrazolo[5,4-d]1,2,4-triazolo[4,3-e]pyrimidine, C12H6Cl2N6
| Molecular Formula | C12H6Cl2N6 |
|---|---|
| Molecular Weight | 304.00 g/mol |
| LogP | 2.77 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 304.0031 |
| Heavy Atoms | 20 |
| Complexity | 941.5846 |
Chemical Identifiers
| CAS Number | 846586-83-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1N2C3=C(C=N2)C4=NN=CN4C=N3)Cl)Cl |
Product Overview
C12H6Cl2N6 (CAS 846586-83-2), with molecular formula C12H6Cl2N6 and molecular weight 304.00 g/mol. IUPAC: 10-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
Chemical Property Profile of C12H6Cl2N6
Property Insights of C12H6Cl2N6
The XLogP value of 2.77 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C12H6Cl2N6. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for C12H6Cl2N6. Following Lipinski's Rule of Five, C12H6Cl2N6 has 0 hydrogen bond donor(s) and 4 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 C12H6Cl2N6?
The CAS number of C12H6Cl2N6 is 846586-83-2.
What is the molecular formula of C12H6Cl2N6?
The molecular formula of C12H6Cl2N6 is C12H6Cl2N6.
What is the molecular weight of C12H6Cl2N6?
The molecular weight of C12H6Cl2N6 is 304.00 g/mol.
Where can I buy C12H6Cl2N6?
You can request a quote for C12H6Cl2N6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C12H6Cl2N6?
Yes, KEHONG BIO provides custom synthesis services for C12H6Cl2N6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.