![methyl(phenyl)[?] structure](/static/products/4137/4137-58-0.webp)
methyl(phenyl)[?]
TL;DR: methyl(phenyl)[?] (CAS 4137-58-0) is a chemical compound with molecular formula C17H12N6 and molecular weight 300.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methyl-14-phenyl-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaene
Also Known As: methyl(phenyl)[?], 10-Methyl-3-phenyl-1,2,4-triazolo[4',3':2,3]1,2,4-triazino[5, 10-Methyl-3-phenyl-10H-[1,2,4]triazolo[4',3':2,3][1,2,4]triazino[5,6-b]indole, 10H-1,2,4-Triazolo[4',3':2,3][1,2,4]triazino[5,6-b]indole, 10-methyl-3-phenyl-, 8-Methyl-14-phenyl-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaene
| Molecular Formula | C17H12N6 |
|---|---|
| Molecular Weight | 300.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 300.11234 |
| Heavy Atoms | 23 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 4137-58-0 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C3=NN4C(=NN=C4N=C31)C5=CC=CC=C5 |
| InChIKey | XBGFFVZKERAEQJ-UHFFFAOYSA-N |
Product Overview
methyl(phenyl)[?] (CAS 4137-58-0), with molecular formula C17H12N6 and molecular weight 300.11 g/mol. IUPAC: 8-methyl-14-phenyl-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaene.
Chemical Property Profile of methyl(phenyl)[?]
Property Insights of methyl(phenyl)[?]
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl(phenyl)[?]. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl(phenyl)[?]. Following Lipinski's Rule of Five, methyl(phenyl)[?] 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 methyl(phenyl)[?]?
The CAS number of methyl(phenyl)[?] is 4137-58-0.
What is the molecular formula of methyl(phenyl)[?]?
The molecular formula of methyl(phenyl)[?] is C17H12N6.
What is the molecular weight of methyl(phenyl)[?]?
The molecular weight of methyl(phenyl)[?] is 300.11 g/mol.
Where can I buy methyl(phenyl)[?]?
You can request a quote for methyl(phenyl)[?] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl(phenyl)[?]?
Yes, KEHONG BIO provides custom synthesis services for methyl(phenyl)[?] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.