1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-6-methyl-
TL;DR: 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-6-methyl- (CAS 3547-19-1) is a chemical compound with molecular formula C12H12N2 and molecular weight 184.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),9-pentaene
Also Known As: Cycloanhydro-4-acetyltryptamine, 3,4-Dihydro-6-methyl-1H-azepino(5,4,3-cd)indole, 5-23-08-00096 (Beilstein Handbook Reference), 1H-AZEPINO(5,4,3-cd)INDOLE, 3,4-DIHYDRO-6-METHYL-, 3,4-Dihydro-6-methyl-1H-azepino[5,4,3-cd]indole
| Molecular Formula | C12H12N2 |
|---|---|
| Molecular Weight | 184.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.10005 |
| Heavy Atoms | 14 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 3547-19-1 |
|---|---|
| SMILES | CC1=NCCC2=CNC3=CC=CC1=C23 |
| InChIKey | AEOXHPCCCHFYCS-UHFFFAOYSA-N |
Product Overview
1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-6-methyl- (CAS 3547-19-1), with molecular formula C12H12N2 and molecular weight 184.10 g/mol. IUPAC: 9-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),9-pentaene.
Chemical Property Profile of 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-6-methyl-
Property Insights of 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-6-methyl-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-6-methyl-. With a topological polar surface area (TPSA) of 28.2 Ų, 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-6-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-6-methyl- has 1 hydrogen bond donor(s) and 1 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-Azepino(5,4,3-cd)indole, 3,4-dihydro-6-methyl-?
The CAS number of 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-6-methyl- is 3547-19-1.
What is the molecular formula of 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-6-methyl-?
The molecular formula of 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-6-methyl- is C12H12N2.
What is the molecular weight of 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-6-methyl-?
The molecular weight of 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-6-methyl- is 184.10 g/mol.
Where can I buy 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-6-methyl-?
You can request a quote for 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-6-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-6-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-6-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.