5-Butylphenanthridin-5-ium
TL;DR: 5-Butylphenanthridin-5-ium (CAS 112261-23-1) is a chemical compound with molecular formula C17H18N+ and molecular weight 236.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butylphenanthridin-5-ium
Also Known As: 5-butylphenanthridin-5-ium, 5-Butylphenanthridinium, 5-butylphenanthridine, Phenanthridinium,5-butyl, Phenanthridinium, 5-butyl-
| Molecular Formula | C17H18N+ |
|---|---|
| Molecular Weight | 236.14 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 3.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.14392 |
| Heavy Atoms | 18 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 112261-23-1 |
|---|---|
| SMILES | CCCC[N+]1=CC2=CC=CC=C2C3=CC=CC=C31 |
| InChIKey | ISCIEEORSMVTNY-UHFFFAOYSA-N |
Product Overview
5-Butylphenanthridin-5-ium (CAS 112261-23-1), with molecular formula C17H18N+ and molecular weight 236.14 g/mol. IUPAC: 5-butylphenanthridin-5-ium.
Chemical Property Profile of 5-Butylphenanthridin-5-ium
Property Insights of 5-Butylphenanthridin-5-ium
The XLogP value of 4.8 indicates that 5-Butylphenanthridin-5-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.9 Ų, 5-Butylphenanthridin-5-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Butylphenanthridin-5-ium has 0 hydrogen bond donor(s) and 0 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 5-Butylphenanthridin-5-ium?
The CAS number of 5-Butylphenanthridin-5-ium is 112261-23-1.
What is the molecular formula of 5-Butylphenanthridin-5-ium?
The molecular formula of 5-Butylphenanthridin-5-ium is C17H18N+.
What is the molecular weight of 5-Butylphenanthridin-5-ium?
The molecular weight of 5-Butylphenanthridin-5-ium is 236.14 g/mol.
Where can I buy 5-Butylphenanthridin-5-ium?
You can request a quote for 5-Butylphenanthridin-5-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Butylphenanthridin-5-ium?
Yes, KEHONG BIO provides custom synthesis services for 5-Butylphenanthridin-5-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.