Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-3-methyl-
TL;DR: Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-3-methyl- (CAS 7546-66-9) is a chemical compound with molecular formula C13H16N2 and molecular weight 200.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole
Also Known As: 3-methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole, 3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole, 5-23-07-00376 (Beilstein Handbook Reference), 1,2,3,4,5,6-Hexahydro-3-methylazepino(4,5-b)indole, 3-Methyl-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole
| Molecular Formula | C13H16N2 |
|---|---|
| Molecular Weight | 200.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 19.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.13135 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 7546-66-9 |
|---|---|
| SMILES | CN1CCC2=C(CC1)NC3=CC=CC=C23 |
| InChIKey | WBCPONKOWIDTJM-UHFFFAOYSA-N |
Product Overview
Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-3-methyl- (CAS 7546-66-9), with molecular formula C13H16N2 and molecular weight 200.13 g/mol. IUPAC: 3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole.
Chemical Property Profile of Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-3-methyl-
Property Insights of Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-3-methyl-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-3-methyl-. With a topological polar surface area (TPSA) of 19.0 Ų, Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-3-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 Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-3-methyl-?
The CAS number of Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-3-methyl- is 7546-66-9.
What is the molecular formula of Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-3-methyl-?
The molecular formula of Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-3-methyl- is C13H16N2.
What is the molecular weight of Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-3-methyl-?
The molecular weight of Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-3-methyl- is 200.13 g/mol.
Where can I buy Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-3-methyl-?
You can request a quote for Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.