9-Chloro-6-methyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indole
TL;DR: 9-Chloro-6-methyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indole (CAS 3889-01-8) is a chemical compound with molecular formula C12H13ClN2 and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-9-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene
Also Known As: 5-23-07-00388 (Beilstein Handbook Reference), 9-Chloro-6-methyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indole, 1H-AZEPINO(5,4,3-cd)INDOLE, 3,4,5,6-TETRAHYDRO-9-CHLORO-6-METHYL-, 3,4,5,6-Tetrahydro-9-chloro-6-methyl-1H-azepino[5,4,3-cd]indole, 9-Chloro-6-methyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole
| Molecular Formula | C12H13ClN2 |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 27.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.07672 |
| Heavy Atoms | 15 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 3889-01-8 |
|---|---|
| SMILES | CC1C2=C3C(=CNC3=C(C=C2)Cl)CCN1 |
| InChIKey | OERWUSKCIJQIES-UHFFFAOYSA-N |
Product Overview
9-Chloro-6-methyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indole (CAS 3889-01-8), with molecular formula C12H13ClN2 and molecular weight 220.08 g/mol. IUPAC: 5-chloro-9-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene.
Chemical Property Profile of 9-Chloro-6-methyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indole
Property Insights of 9-Chloro-6-methyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Chloro-6-methyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indole. With a topological polar surface area (TPSA) of 27.8 Ų, 9-Chloro-6-methyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Chloro-6-methyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indole 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 9-Chloro-6-methyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indole?
The CAS number of 9-Chloro-6-methyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indole is 3889-01-8.
What is the molecular formula of 9-Chloro-6-methyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indole?
The molecular formula of 9-Chloro-6-methyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indole is C12H13ClN2.
What is the molecular weight of 9-Chloro-6-methyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indole?
The molecular weight of 9-Chloro-6-methyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indole is 220.08 g/mol.
Where can I buy 9-Chloro-6-methyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indole?
You can request a quote for 9-Chloro-6-methyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Chloro-6-methyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indole?
Yes, KEHONG BIO provides custom synthesis services for 9-Chloro-6-methyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.