Azepino(4,5-b)indole, 3-benzyl-1,2,3,4,5,6-hexahydro-
TL;DR: Azepino(4,5-b)indole, 3-benzyl-1,2,3,4,5,6-hexahydro- (CAS 7546-77-2) is a chemical compound with molecular formula C19H20N2 and molecular weight 276.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole
Also Known As: 3-Benzyl-1,2,3,4,5,6-hexahydro-azepino(4,5-b)indole, 5-23-07-00377 (Beilstein Handbook Reference), 3-benzyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole, Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-3-benzyl-, AZEPINO(4,5-b)INDOLE, 3-BENZYL-1,2,3,4,5,6-HEXAHYDRO-
| Molecular Formula | C19H20N2 |
|---|---|
| Molecular Weight | 276.16 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 19.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.16266 |
| Heavy Atoms | 21 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 7546-77-2 |
|---|---|
| SMILES | C1CN(CCC2=C1C3=CC=CC=C3N2)CC4=CC=CC=C4 |
| InChIKey | WOFLJLUPWUTFQQ-UHFFFAOYSA-N |
Product Overview
Azepino(4,5-b)indole, 3-benzyl-1,2,3,4,5,6-hexahydro- (CAS 7546-77-2), with molecular formula C19H20N2 and molecular weight 276.16 g/mol. IUPAC: 3-benzyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole.
Chemical Property Profile of Azepino(4,5-b)indole, 3-benzyl-1,2,3,4,5,6-hexahydro-
Property Insights of Azepino(4,5-b)indole, 3-benzyl-1,2,3,4,5,6-hexahydro-
The XLogP value of 3.9 indicates that Azepino(4,5-b)indole, 3-benzyl-1,2,3,4,5,6-hexahydro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.0 Ų, Azepino(4,5-b)indole, 3-benzyl-1,2,3,4,5,6-hexahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azepino(4,5-b)indole, 3-benzyl-1,2,3,4,5,6-hexahydro- 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, 3-benzyl-1,2,3,4,5,6-hexahydro-?
The CAS number of Azepino(4,5-b)indole, 3-benzyl-1,2,3,4,5,6-hexahydro- is 7546-77-2.
What is the molecular formula of Azepino(4,5-b)indole, 3-benzyl-1,2,3,4,5,6-hexahydro-?
The molecular formula of Azepino(4,5-b)indole, 3-benzyl-1,2,3,4,5,6-hexahydro- is C19H20N2.
What is the molecular weight of Azepino(4,5-b)indole, 3-benzyl-1,2,3,4,5,6-hexahydro-?
The molecular weight of Azepino(4,5-b)indole, 3-benzyl-1,2,3,4,5,6-hexahydro- is 276.16 g/mol.
Where can I buy Azepino(4,5-b)indole, 3-benzyl-1,2,3,4,5,6-hexahydro-?
You can request a quote for Azepino(4,5-b)indole, 3-benzyl-1,2,3,4,5,6-hexahydro- 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, 3-benzyl-1,2,3,4,5,6-hexahydro-?
Yes, KEHONG BIO provides custom synthesis services for Azepino(4,5-b)indole, 3-benzyl-1,2,3,4,5,6-hexahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.