Sempervirine cation
TL;DR: Sempervirine cation (CAS 80296-67-9) is a chemical compound with molecular formula C19H17N2+ and molecular weight 273.14 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
Also Known As: Sempervirine, Sempervirine cation, sempervirin, Sempervirene, SEMPERVIRINE ION
| Molecular Formula | C19H17N2+ |
|---|---|
| Molecular Weight | 273.14 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 19.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 273.13916 |
| Heavy Atoms | 21 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 80296-67-9 |
|---|---|
| SMILES | C1CCC2=C[N+]3=C(C=C2C1)C4=C(C=C3)C5=CC=CC=C5N4 |
| InChIKey | UQVUEULZDJRMJR-UHFFFAOYSA-O |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sempervirine cation (CAS 80296-67-9), with molecular formula C19H17N2+ and molecular weight 273.14 g/mol. IUPAC: 16,17,18,19-tetrahydro-3H-yohimban-13-ium.
Chemical Property Profile of Sempervirine cation
Property Insights of Sempervirine cation
The XLogP value of 5.7 indicates that Sempervirine cation is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.9 Ų, Sempervirine cation exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sempervirine cation has 1 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sempervirine cation?
The CAS number of Sempervirine cation is 80296-67-9.
What is the molecular formula of Sempervirine cation?
The molecular formula of Sempervirine cation is C19H17N2+.
What is the molecular weight of Sempervirine cation?
The molecular weight of Sempervirine cation is 273.14 g/mol.
Where can I buy Sempervirine cation?
You can request a quote for Sempervirine cation directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sempervirine cation?
Yes, KEHONG BIO provides custom synthesis services for Sempervirine cation and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.