![11-Imino-3,6-dimethyl-10-phenyl-2,4,6,8,10-pentazatricyclo[5.4.1.04,12]dodeca-1(12),2,7-triene-5,9-dione structure](/static/products/849/84996-87-2.png)
11-Imino-3,6-dimethyl-10-phenyl-2,4,6,8,10-pentazatricyclo[5.4.1.04,12]dodeca-1(12),2,7-triene-5,9-dione
TL;DR: 11-Imino-3,6-dimethyl-10-phenyl-2,4,6,8,10-pentazatricyclo[5.4.1.04,12]dodeca-1(12),2,7-triene-5,9-dione (CAS 84996-87-2) is a chemical compound with molecular formula C15H12N6O2 and molecular weight 308.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-imino-3,6-dimethyl-10-phenyl-2,4,6,8,10-pentazatricyclo[5.4.1.04,12]dodeca-1(12),2,7-triene-5,9-dione
Also Known As: 11-Imino-3,6-dimethyl-10-phenyl-2,4,6,8,10-pentazatricyclo[5.4.1.04,12]dodeca-1(12),2,7-triene-5,9-dione, 8-Imino-2,4-dimethyl-7-phenyl-7,8-dihydro-3H-1,2a,4,5,7-pentaazacyclopenta[cd]azulene-3,6(4H)-dione
| Molecular Formula | C15H12N6O2 |
|---|---|
| Molecular Weight | 308.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 94.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 308.10217 |
| Heavy Atoms | 23 |
| Complexity | 611.0 |
Chemical Identifiers
| CAS Number | 84996-87-2 |
|---|---|
| SMILES | CC1=NC2=C3N1C(=O)N(C3=NC(=O)N(C2=N)C4=CC=CC=C4)C |
| InChIKey | AIORMSMZWKQTKV-UHFFFAOYSA-N |
Product Overview
11-Imino-3,6-dimethyl-10-phenyl-2,4,6,8,10-pentazatricyclo[5.4.1.04,12]dodeca-1(12),2,7-triene-5,9-dione (CAS 84996-87-2), with molecular formula C15H12N6O2 and molecular weight 308.10 g/mol. IUPAC: 11-imino-3,6-dimethyl-10-phenyl-2,4,6,8,10-pentazatricyclo[5.4.1.04,12]dodeca-1(12),2,7-triene-5,9-dione.
Chemical Property Profile of 11-Imino-3,6-dimethyl-10-phenyl-2,4,6,8,10-pentazatricyclo[5.4.1.04,12]dodeca-1(12),2,7-triene-5,9-dione
Property Insights of 11-Imino-3,6-dimethyl-10-phenyl-2,4,6,8,10-pentazatricyclo[5.4.1.04,12]dodeca-1(12),2,7-triene-5,9-dione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-Imino-3,6-dimethyl-10-phenyl-2,4,6,8,10-pentazatricyclo[5.4.1.04,12]dodeca-1(12),2,7-triene-5,9-dione. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-Imino-3,6-dimethyl-10-phenyl-2,4,6,8,10-pentazatricyclo[5.4.1.04,12]dodeca-1(12),2,7-triene-5,9-dione. Following Lipinski's Rule of Five, 11-Imino-3,6-dimethyl-10-phenyl-2,4,6,8,10-pentazatricyclo[5.4.1.04,12]dodeca-1(12),2,7-triene-5,9-dione has 1 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 11-Imino-3,6-dimethyl-10-phenyl-2,4,6,8,10-pentazatricyclo[5.4.1.04,12]dodeca-1(12),2,7-triene-5,9-dione?
The CAS number of 11-Imino-3,6-dimethyl-10-phenyl-2,4,6,8,10-pentazatricyclo[5.4.1.04,12]dodeca-1(12),2,7-triene-5,9-dione is 84996-87-2.
What is the molecular formula of 11-Imino-3,6-dimethyl-10-phenyl-2,4,6,8,10-pentazatricyclo[5.4.1.04,12]dodeca-1(12),2,7-triene-5,9-dione?
The molecular formula of 11-Imino-3,6-dimethyl-10-phenyl-2,4,6,8,10-pentazatricyclo[5.4.1.04,12]dodeca-1(12),2,7-triene-5,9-dione is C15H12N6O2.
What is the molecular weight of 11-Imino-3,6-dimethyl-10-phenyl-2,4,6,8,10-pentazatricyclo[5.4.1.04,12]dodeca-1(12),2,7-triene-5,9-dione?
The molecular weight of 11-Imino-3,6-dimethyl-10-phenyl-2,4,6,8,10-pentazatricyclo[5.4.1.04,12]dodeca-1(12),2,7-triene-5,9-dione is 308.10 g/mol.
Where can I buy 11-Imino-3,6-dimethyl-10-phenyl-2,4,6,8,10-pentazatricyclo[5.4.1.04,12]dodeca-1(12),2,7-triene-5,9-dione?
You can request a quote for 11-Imino-3,6-dimethyl-10-phenyl-2,4,6,8,10-pentazatricyclo[5.4.1.04,12]dodeca-1(12),2,7-triene-5,9-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-Imino-3,6-dimethyl-10-phenyl-2,4,6,8,10-pentazatricyclo[5.4.1.04,12]dodeca-1(12),2,7-triene-5,9-dione?
Yes, KEHONG BIO provides custom synthesis services for 11-Imino-3,6-dimethyl-10-phenyl-2,4,6,8,10-pentazatricyclo[5.4.1.04,12]dodeca-1(12),2,7-triene-5,9-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.