2,3,4,13-Tetrahydro-1H-benz(g)indole(2,3-a)quinolizin-6-ium nitrate
TL;DR: 2,3,4,13-Tetrahydro-1H-benz(g)indole(2,3-a)quinolizin-6-ium nitrate (CAS 5436-46-4) is a chemical compound with molecular formula C19H17N3O3 and molecular weight 335.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16,17,18,19-tetrahydro-3H-yohimban-13-ium nitrate
Also Known As: Sempervirine nitrate, Sempervirine (nitrate), Sempervirine, nitrate, Sempervirine nitrate dihydrate, 16,17,18,19-tetrahydro-3H-yohimban-13-ium;nitrate
| Molecular Formula | C19H17N3O3 |
|---|---|
| Molecular Weight | 335.13 g/mol |
| LogP | 3.6995 |
| Topological Polar Surface Area | 82.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 335.12698 |
| Heavy Atoms | 25 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 5436-46-4 |
|---|---|
| SMILES | C1CCC2=C[N+]3=C(C=C2C1)C4=C(C=C3)C5=CC=CC=C5N4.[N+](=O)([O-])[O-] |
| InChIKey | NPMOCMWCFIQGMK-UHFFFAOYSA-O |
Product Overview
2,3,4,13-Tetrahydro-1H-benz(g)indole(2,3-a)quinolizin-6-ium nitrate (CAS 5436-46-4), with molecular formula C19H17N3O3 and molecular weight 335.13 g/mol. IUPAC: 16,17,18,19-tetrahydro-3H-yohimban-13-ium nitrate.
Chemical Property Profile of 2,3,4,13-Tetrahydro-1H-benz(g)indole(2,3-a)quinolizin-6-ium nitrate
Property Insights of 2,3,4,13-Tetrahydro-1H-benz(g)indole(2,3-a)quinolizin-6-ium nitrate
The XLogP value of 3.6995 indicates that 2,3,4,13-Tetrahydro-1H-benz(g)indole(2,3-a)quinolizin-6-ium nitrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,4,13-Tetrahydro-1H-benz(g)indole(2,3-a)quinolizin-6-ium nitrate. Following Lipinski's Rule of Five, 2,3,4,13-Tetrahydro-1H-benz(g)indole(2,3-a)quinolizin-6-ium nitrate has 1 hydrogen bond donor(s) and 3 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 2,3,4,13-Tetrahydro-1H-benz(g)indole(2,3-a)quinolizin-6-ium nitrate?
The CAS number of 2,3,4,13-Tetrahydro-1H-benz(g)indole(2,3-a)quinolizin-6-ium nitrate is 5436-46-4.
What is the molecular formula of 2,3,4,13-Tetrahydro-1H-benz(g)indole(2,3-a)quinolizin-6-ium nitrate?
The molecular formula of 2,3,4,13-Tetrahydro-1H-benz(g)indole(2,3-a)quinolizin-6-ium nitrate is C19H17N3O3.
What is the molecular weight of 2,3,4,13-Tetrahydro-1H-benz(g)indole(2,3-a)quinolizin-6-ium nitrate?
The molecular weight of 2,3,4,13-Tetrahydro-1H-benz(g)indole(2,3-a)quinolizin-6-ium nitrate is 335.13 g/mol.
Where can I buy 2,3,4,13-Tetrahydro-1H-benz(g)indole(2,3-a)quinolizin-6-ium nitrate?
You can request a quote for 2,3,4,13-Tetrahydro-1H-benz(g)indole(2,3-a)quinolizin-6-ium nitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,13-Tetrahydro-1H-benz(g)indole(2,3-a)quinolizin-6-ium nitrate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,13-Tetrahydro-1H-benz(g)indole(2,3-a)quinolizin-6-ium nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.