![2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole structure](/static/products/147/147678-40-8.png)
2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
TL;DR: 2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole (CAS 147678-40-8) is a chemical compound with molecular formula C12H15N and molecular weight 173.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
Also Known As: 1H-Benz[e]indole, 2,3,3a,4,5,9b-hexahydro-, 1H,2H,3H,3aH,4H,5H,9bH-benzo[e]indole, J3.369.638H, 1,2,3a,4,5,9b-Hexahydro-3H-benzo[e]indole, 2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
| Molecular Formula | C12H15N |
|---|---|
| Molecular Weight | 173.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.12045 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 147678-40-8 |
|---|---|
| SMILES | C1CC2=CC=CC=C2C3C1NCC3 |
| InChIKey | GWYZNBPESTULJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole (CAS 147678-40-8), with molecular formula C12H15N and molecular weight 173.12 g/mol. IUPAC: 2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole.
Chemical Property Profile of 2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
Property Insights of 2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole. With a topological polar surface area (TPSA) of 12.0 Ų, 2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,3a,4,5,9b-hexahydro-1H-benzo[e]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 2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole?
The CAS number of 2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole is 147678-40-8.
What is the molecular formula of 2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole?
The molecular formula of 2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole is C12H15N.
What is the molecular weight of 2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole?
The molecular weight of 2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole is 173.12 g/mol.
Where can I buy 2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole?
You can request a quote for 2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole?
Yes, KEHONG BIO provides custom synthesis services for 2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.