1-butylpyridin-1-ium
TL;DR: 1-butylpyridin-1-ium (CAS 6295-66-5) is a chemical compound with molecular formula C17H14O2 and molecular weight 250.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
Also Known As: 1-butylpyridin-1-ium, 9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid, 9,10-dihydro-9,10-ethanoanthracene-11-carboxylicacid, 9,10-dihydro-9,10-ethanoanthracene-11-monocarboxylic acid, tetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
| Molecular Formula | C17H14O2 |
|---|---|
| Molecular Weight | 250.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.09938 |
| Heavy Atoms | 19 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 6295-66-5 |
|---|---|
| SMILES | C1C(C2C3=CC=CC=C3C1C4=CC=CC=C24)C(=O)O |
| InChIKey | LZKBBIGRPXLMRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-butylpyridin-1-ium (CAS 6295-66-5), with molecular formula C17H14O2 and molecular weight 250.10 g/mol. IUPAC: tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid.
Chemical Property Profile of 1-butylpyridin-1-ium
Property Insights of 1-butylpyridin-1-ium
The XLogP value of 3.1 indicates that 1-butylpyridin-1-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 1-butylpyridin-1-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-butylpyridin-1-ium has 1 hydrogen bond donor(s) and 2 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 1-butylpyridin-1-ium?
The CAS number of 1-butylpyridin-1-ium is 6295-66-5.
What is the molecular formula of 1-butylpyridin-1-ium?
The molecular formula of 1-butylpyridin-1-ium is C17H14O2.
What is the molecular weight of 1-butylpyridin-1-ium?
The molecular weight of 1-butylpyridin-1-ium is 250.10 g/mol.
Where can I buy 1-butylpyridin-1-ium?
You can request a quote for 1-butylpyridin-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-butylpyridin-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 1-butylpyridin-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.