1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-9-chloro-5,6-dimethyl-
TL;DR: 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-9-chloro-5,6-dimethyl- (CAS 3889-07-4) is a chemical compound with molecular formula C13H15ClN2 and molecular weight 234.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-9,10-dimethyl-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-5,6-dimethyl-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-5,6-DIMETHYL-, 9-Chloro-5,6-dimethyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole, 3,4,5,6-Tetrahydro-9-chloro-5,6-dimethyl-1H-azepino[5,4,3-cd]indole
| Molecular Formula | C13H15ClN2 |
|---|---|
| Molecular Weight | 234.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 19.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 234.09238 |
| Heavy Atoms | 16 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 3889-07-4 |
|---|---|
| SMILES | CC1C2=C3C(=CNC3=C(C=C2)Cl)CCN1C |
| InChIKey | IBPYLFAPXTXGJI-UHFFFAOYSA-N |
Product Overview
1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-9-chloro-5,6-dimethyl- (CAS 3889-07-4), with molecular formula C13H15ClN2 and molecular weight 234.09 g/mol. IUPAC: 5-chloro-9,10-dimethyl-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-9-chloro-5,6-dimethyl-
Property Insights of 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-9-chloro-5,6-dimethyl-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-9-chloro-5,6-dimethyl-. With a topological polar surface area (TPSA) of 19.0 Ų, 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-9-chloro-5,6-dimethyl- 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-9-chloro-5,6-dimethyl- 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, 3,4,5,6-tetrahydro-9-chloro-5,6-dimethyl-?
The CAS number of 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-9-chloro-5,6-dimethyl- is 3889-07-4.
What is the molecular formula of 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-9-chloro-5,6-dimethyl-?
The molecular formula of 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-9-chloro-5,6-dimethyl- is C13H15ClN2.
What is the molecular weight of 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-9-chloro-5,6-dimethyl-?
The molecular weight of 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-9-chloro-5,6-dimethyl- is 234.09 g/mol.
Where can I buy 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-9-chloro-5,6-dimethyl-?
You can request a quote for 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-9-chloro-5,6-dimethyl- 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-9-chloro-5,6-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-9-chloro-5,6-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.