1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-(2-methyl-1-propenyl)-, (-)-
TL;DR: 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-(2-methyl-1-propenyl)-, (-)- (CAS 80152-02-9) is a chemical compound with molecular formula C15H18N2 and molecular weight 226.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(2-methylprop-1-enyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene
Also Known As: Aurantioclavine, (R)-(-)-aurantioclavine, 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-(2-methyl-1-propenyl)-, (-)-, AL-828/20171003, 9-(2-methylprop-1-enyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene
| Molecular Formula | C15H18N2 |
|---|---|
| Molecular Weight | 226.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 27.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.147 |
| Heavy Atoms | 17 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 80152-02-9 |
|---|---|
| SMILES | CC(=CC1C2=C3C(=CNC3=CC=C2)CCN1)C |
| InChIKey | ZTSJEOWZNBPNQS-UHFFFAOYSA-N |
Product Overview
1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-(2-methyl-1-propenyl)-, (-)- (CAS 80152-02-9), with molecular formula C15H18N2 and molecular weight 226.15 g/mol. IUPAC: 9-(2-methylprop-1-enyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene.
Chemical Property Profile of 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-(2-methyl-1-propenyl)-, (-)-
Property Insights of 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-(2-methyl-1-propenyl)-, (-)-
The XLogP value of 3.2 indicates that 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-(2-methyl-1-propenyl)-, (-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.8 Ų, 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-(2-methyl-1-propenyl)-, (-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-(2-methyl-1-propenyl)-, (-)- has 2 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, 3,4,5,6-tetrahydro-6-(2-methyl-1-propenyl)-, (-)-?
The CAS number of 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-(2-methyl-1-propenyl)-, (-)- is 80152-02-9.
What is the molecular formula of 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-(2-methyl-1-propenyl)-, (-)-?
The molecular formula of 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-(2-methyl-1-propenyl)-, (-)- is C15H18N2.
What is the molecular weight of 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-(2-methyl-1-propenyl)-, (-)-?
The molecular weight of 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-(2-methyl-1-propenyl)-, (-)- is 226.15 g/mol.
Where can I buy 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-(2-methyl-1-propenyl)-, (-)-?
You can request a quote for 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-(2-methyl-1-propenyl)-, (-)- 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, 3,4,5,6-tetrahydro-6-(2-methyl-1-propenyl)-, (-)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-(2-methyl-1-propenyl)-, (-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.