3H-Benz(e)indole, 1,2,3a,4,5,9b-hexahydro-, hydrochloride
TL;DR: 3H-Benz(e)indole, 1,2,3a,4,5,9b-hexahydro-, hydrochloride (CAS 3780-62-9) is a chemical compound with molecular formula C12H16ClN and molecular weight 209.10 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;hydrochloride
Also Known As: 1,2,3a,4,5,9b-Hexahydro-3H-benz(e)indole hydrochloride, 2.2-Dimethyl-1-oxo-2-sila-cyclopentan, 3H-Benz(e)indole, 1,2,3a,4,5,9b-hexahydro-, hydrochloride, 2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole,hydrochloride, 2,3,3a,4,5,9b-hexahydro-1h-benzo[e]indole hydrochloride(1:1)
| Molecular Formula | C12H16ClN |
|---|---|
| Molecular Weight | 209.10 g/mol |
| LogP | 2.5001 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.09712 |
| Heavy Atoms | 14 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 3780-62-9 |
|---|---|
| SMILES | C1CC2=CC=CC=C2C3C1NCC3.Cl |
| InChIKey | LXELQQXBEWDUPS-UHFFFAOYSA-N |
Product Overview
3H-Benz(e)indole, 1,2,3a,4,5,9b-hexahydro-, hydrochloride (CAS 3780-62-9), with molecular formula C12H16ClN and molecular weight 209.10 g/mol. IUPAC: 2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole;hydrochloride.
Chemical Property Profile of 3H-Benz(e)indole, 1,2,3a,4,5,9b-hexahydro-, hydrochloride
Property Insights of 3H-Benz(e)indole, 1,2,3a,4,5,9b-hexahydro-, hydrochloride
The XLogP value of 2.5001 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Benz(e)indole, 1,2,3a,4,5,9b-hexahydro-, hydrochloride. With a topological polar surface area (TPSA) of 12.0 Ų, 3H-Benz(e)indole, 1,2,3a,4,5,9b-hexahydro-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Benz(e)indole, 1,2,3a,4,5,9b-hexahydro-, hydrochloride 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 3H-Benz(e)indole, 1,2,3a,4,5,9b-hexahydro-, hydrochloride?
The CAS number of 3H-Benz(e)indole, 1,2,3a,4,5,9b-hexahydro-, hydrochloride is 3780-62-9.
What is the molecular formula of 3H-Benz(e)indole, 1,2,3a,4,5,9b-hexahydro-, hydrochloride?
The molecular formula of 3H-Benz(e)indole, 1,2,3a,4,5,9b-hexahydro-, hydrochloride is C12H16ClN.
What is the molecular weight of 3H-Benz(e)indole, 1,2,3a,4,5,9b-hexahydro-, hydrochloride?
The molecular weight of 3H-Benz(e)indole, 1,2,3a,4,5,9b-hexahydro-, hydrochloride is 209.10 g/mol.
Where can I buy 3H-Benz(e)indole, 1,2,3a,4,5,9b-hexahydro-, hydrochloride?
You can request a quote for 3H-Benz(e)indole, 1,2,3a,4,5,9b-hexahydro-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-Benz(e)indole, 1,2,3a,4,5,9b-hexahydro-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3H-Benz(e)indole, 1,2,3a,4,5,9b-hexahydro-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.