1H-4,5,8a-Triazaindeno(1,2,3-ef)heptalene, 2,3,5,6,7,8-hexahydro-5-methyl-
TL;DR: 1H-4,5,8a-Triazaindeno(1,2,3-ef)heptalene, 2,3,5,6,7,8-hexahydro-5-methyl- (CAS 54188-41-9) is a chemical compound with molecular formula C16H19N3 and molecular weight 253.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1,5,7-triazatetracyclo[9.6.1.06,18.012,17]octadeca-6,11(18),12,14,16-pentaene
Also Known As: 1H-4,5,8a-Triazaindeno(1,2,3-ef)heptalene, 2,3,5,6,7,8-hexahydro-5-methyl-, 2,3,5,6,7,8-Hexahydro-5-methyl-1H-4,5,8a-triazaindeno(1,2,3-ef)heptalene, 2,3,4,6,7,8-Hexahydro-4-methyl-1H-4,5,12b-triazaindeno[1,2,3-ef]heptalene, 5-Methyl-2,3,5,6,7,8-hexahydro-1H-4,5,8a-triazaindeno[1,2,3-ef]heptalene, 5-methyl-1,5,7-triazatetracyclo[9.6.1.06,18.012,17]octadeca-6,11(18),12,14,16-pentaene
| Molecular Formula | C16H19N3 |
|---|---|
| Molecular Weight | 253.16 g/mol |
| LogP | 2.6696 |
| Topological Polar Surface Area | 20.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 253.1579 |
| Heavy Atoms | 19 |
| Complexity | 665.929 |
Chemical Identifiers
| CAS Number | 54188-41-9 |
|---|---|
| SMILES | CN1CCCN2C3=CC=CC=C3C4=C2C1=NCCC4 |
Product Overview
1H-4,5,8a-Triazaindeno(1,2,3-ef)heptalene, 2,3,5,6,7,8-hexahydro-5-methyl- (CAS 54188-41-9), with molecular formula C16H19N3 and molecular weight 253.16 g/mol. IUPAC: 5-methyl-1,5,7-triazatetracyclo[9.6.1.06,18.012,17]octadeca-6,11(18),12,14,16-pentaene.
Chemical Property Profile of 1H-4,5,8a-Triazaindeno(1,2,3-ef)heptalene, 2,3,5,6,7,8-hexahydro-5-methyl-
Property Insights of 1H-4,5,8a-Triazaindeno(1,2,3-ef)heptalene, 2,3,5,6,7,8-hexahydro-5-methyl-
The XLogP value of 2.6696 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-4,5,8a-Triazaindeno(1,2,3-ef)heptalene, 2,3,5,6,7,8-hexahydro-5-methyl-. With a topological polar surface area (TPSA) of 20.53 Ų, 1H-4,5,8a-Triazaindeno(1,2,3-ef)heptalene, 2,3,5,6,7,8-hexahydro-5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-4,5,8a-Triazaindeno(1,2,3-ef)heptalene, 2,3,5,6,7,8-hexahydro-5-methyl- 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 1H-4,5,8a-Triazaindeno(1,2,3-ef)heptalene, 2,3,5,6,7,8-hexahydro-5-methyl-?
The CAS number of 1H-4,5,8a-Triazaindeno(1,2,3-ef)heptalene, 2,3,5,6,7,8-hexahydro-5-methyl- is 54188-41-9.
What is the molecular formula of 1H-4,5,8a-Triazaindeno(1,2,3-ef)heptalene, 2,3,5,6,7,8-hexahydro-5-methyl-?
The molecular formula of 1H-4,5,8a-Triazaindeno(1,2,3-ef)heptalene, 2,3,5,6,7,8-hexahydro-5-methyl- is C16H19N3.
What is the molecular weight of 1H-4,5,8a-Triazaindeno(1,2,3-ef)heptalene, 2,3,5,6,7,8-hexahydro-5-methyl-?
The molecular weight of 1H-4,5,8a-Triazaindeno(1,2,3-ef)heptalene, 2,3,5,6,7,8-hexahydro-5-methyl- is 253.16 g/mol.
Where can I buy 1H-4,5,8a-Triazaindeno(1,2,3-ef)heptalene, 2,3,5,6,7,8-hexahydro-5-methyl-?
You can request a quote for 1H-4,5,8a-Triazaindeno(1,2,3-ef)heptalene, 2,3,5,6,7,8-hexahydro-5-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-4,5,8a-Triazaindeno(1,2,3-ef)heptalene, 2,3,5,6,7,8-hexahydro-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-4,5,8a-Triazaindeno(1,2,3-ef)heptalene, 2,3,5,6,7,8-hexahydro-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.