2-Methyl-6-phenyl-6H-1,3,3a,5,6,7-hexaaza-as-indacene
TL;DR: 2-Methyl-6-phenyl-6H-1,3,3a,5,6,7-hexaaza-as-indacene (CAS 676239-57-9) is a chemical compound with molecular formula C13H10N6 and molecular weight 250.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: J2.051.613E, 2-Methyl-6-phenyl-6H-1,3,3a,5,6,7-hexaaza-as-indacene, 2-methyl-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine, 4-Methyl-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene, 4-methyl-10-phenyl-3,5,6,8,10,11-hexaazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
| Molecular Formula | C13H10N6 |
|---|---|
| Molecular Weight | 250.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.0967 |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 676239-57-9 |
|---|---|
| SMILES | CC1=NN2C=NC3=C(C2=N1)C=NN3C4=CC=CC=C4 |
| InChIKey | MRFOPFAYEISVMV-UHFFFAOYSA-N |
Product Overview
2-Methyl-6-phenyl-6H-1,3,3a,5,6,7-hexaaza-as-indacene (CAS 676239-57-9), with molecular formula C13H10N6 and molecular weight 250.10 g/mol. IUPAC: 4-methyl-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
Chemical Property Profile of 2-Methyl-6-phenyl-6H-1,3,3a,5,6,7-hexaaza-as-indacene
Property Insights of 2-Methyl-6-phenyl-6H-1,3,3a,5,6,7-hexaaza-as-indacene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-6-phenyl-6H-1,3,3a,5,6,7-hexaaza-as-indacene. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-6-phenyl-6H-1,3,3a,5,6,7-hexaaza-as-indacene. Following Lipinski's Rule of Five, 2-Methyl-6-phenyl-6H-1,3,3a,5,6,7-hexaaza-as-indacene 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 2-Methyl-6-phenyl-6H-1,3,3a,5,6,7-hexaaza-as-indacene?
The CAS number of 2-Methyl-6-phenyl-6H-1,3,3a,5,6,7-hexaaza-as-indacene is 676239-57-9.
What is the molecular formula of 2-Methyl-6-phenyl-6H-1,3,3a,5,6,7-hexaaza-as-indacene?
The molecular formula of 2-Methyl-6-phenyl-6H-1,3,3a,5,6,7-hexaaza-as-indacene is C13H10N6.
What is the molecular weight of 2-Methyl-6-phenyl-6H-1,3,3a,5,6,7-hexaaza-as-indacene?
The molecular weight of 2-Methyl-6-phenyl-6H-1,3,3a,5,6,7-hexaaza-as-indacene is 250.10 g/mol.
Where can I buy 2-Methyl-6-phenyl-6H-1,3,3a,5,6,7-hexaaza-as-indacene?
You can request a quote for 2-Methyl-6-phenyl-6H-1,3,3a,5,6,7-hexaaza-as-indacene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-6-phenyl-6H-1,3,3a,5,6,7-hexaaza-as-indacene?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-6-phenyl-6H-1,3,3a,5,6,7-hexaaza-as-indacene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.