Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-9-methyl-
TL;DR: Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-9-methyl- (CAS 15918-89-5) 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.
9-methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
Also Known As: 9-methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole, AZEPINO(4,5-b)INDOLE, 1,2,3,4,5,6-HEXAHYDRO-9-METHYL-, 5-23-07-00407 (Beilstein Handbook Reference), 1,2,3,4,5,6-Hexahydro-9-methyl-azepino(4,5-b)indole, 1,2,3,4,5,6-Hexahydro-9-methylazepino[4,5-b]indole
| Molecular Formula | C13H16N2 |
|---|---|
| Molecular Weight | 200.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 27.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.13135 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 15918-89-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC3=C2CCNCC3 |
| InChIKey | FVLVZXBWCQAPAT-UHFFFAOYSA-N |
Product Overview
Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-9-methyl- (CAS 15918-89-5), with molecular formula C13H16N2 and molecular weight 200.13 g/mol. IUPAC: 9-methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole.
Chemical Property Profile of Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-9-methyl-
Property Insights of Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-9-methyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-9-methyl-. With a topological polar surface area (TPSA) of 27.8 Ų, Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-9-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-9-methyl- 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 Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-9-methyl-?
The CAS number of Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-9-methyl- is 15918-89-5.
What is the molecular formula of Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-9-methyl-?
The molecular formula of Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-9-methyl- is C13H16N2.
What is the molecular weight of Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-9-methyl-?
The molecular weight of Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-9-methyl- is 200.13 g/mol.
Where can I buy Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-9-methyl-?
You can request a quote for Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-9-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-9-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-9-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.