3,4-Dihydro-9-chloro-6-methyl-1H-azepino(5,4,3-cd)indole
TL;DR: 3,4-Dihydro-9-chloro-6-methyl-1H-azepino(5,4,3-cd)indole (CAS 3083-83-8) is a chemical compound with molecular formula C12H11ClN2 and molecular weight 218.06 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),9-pentaene
Also Known As: 3,4-Dihydro-9-chloro-6-methyl-1H-azepino(5,4,3-cd)indole, 5-23-08-00096 (Beilstein Handbook Reference), 9-Chloro-3,4-dihydro-6-methyl-1H-azepino(5,4,3-cd)indole, 1H-AZEPINO(5,4,3-cd)INDOLE, 3,4-DIHYDRO-9-CHLORO-6-METHYL-, 9-Chloro-3,4-dihydro-6-methyl-1H-azepino[5,4,3-cd]indole
| Molecular Formula | C12H11ClN2 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.06108 |
| Heavy Atoms | 15 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 3083-83-8 |
|---|---|
| SMILES | CC1=NCCC2=CNC3=C(C=CC1=C23)Cl |
| InChIKey | DZWZBFHLTLMXOC-UHFFFAOYSA-N |
Product Overview
3,4-Dihydro-9-chloro-6-methyl-1H-azepino(5,4,3-cd)indole (CAS 3083-83-8), with molecular formula C12H11ClN2 and molecular weight 218.06 g/mol. IUPAC: 5-chloro-9-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),9-pentaene.
Chemical Property Profile of 3,4-Dihydro-9-chloro-6-methyl-1H-azepino(5,4,3-cd)indole
Property Insights of 3,4-Dihydro-9-chloro-6-methyl-1H-azepino(5,4,3-cd)indole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-9-chloro-6-methyl-1H-azepino(5,4,3-cd)indole. With a topological polar surface area (TPSA) of 28.2 Ų, 3,4-Dihydro-9-chloro-6-methyl-1H-azepino(5,4,3-cd)indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydro-9-chloro-6-methyl-1H-azepino(5,4,3-cd)indole 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 3,4-Dihydro-9-chloro-6-methyl-1H-azepino(5,4,3-cd)indole?
The CAS number of 3,4-Dihydro-9-chloro-6-methyl-1H-azepino(5,4,3-cd)indole is 3083-83-8.
What is the molecular formula of 3,4-Dihydro-9-chloro-6-methyl-1H-azepino(5,4,3-cd)indole?
The molecular formula of 3,4-Dihydro-9-chloro-6-methyl-1H-azepino(5,4,3-cd)indole is C12H11ClN2.
What is the molecular weight of 3,4-Dihydro-9-chloro-6-methyl-1H-azepino(5,4,3-cd)indole?
The molecular weight of 3,4-Dihydro-9-chloro-6-methyl-1H-azepino(5,4,3-cd)indole is 218.06 g/mol.
Where can I buy 3,4-Dihydro-9-chloro-6-methyl-1H-azepino(5,4,3-cd)indole?
You can request a quote for 3,4-Dihydro-9-chloro-6-methyl-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 3,4-Dihydro-9-chloro-6-methyl-1H-azepino(5,4,3-cd)indole?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-9-chloro-6-methyl-1H-azepino(5,4,3-cd)indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.