3,5-Dichloropyridin-1-ium-1-olate
TL;DR: 3,5-Dichloropyridin-1-ium-1-olate (CAS 59776-60-2) is a chemical compound with molecular formula C5H3Cl2NO and molecular weight 162.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dichloro-1-oxidopyridin-1-ium
Also Known As: 3,5-Dichloropyridine 1-oxide, 3,5-Dichloropyridine N-oxide, 3,5-Dichloropyridine1-oxide, 35-Dichloropyridine1-oxide, 3,5-dichloro-1-oxidopyridin-1-ium
| Molecular Formula | C5H3Cl2NO |
|---|---|
| Molecular Weight | 162.96 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 25.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.95917 |
| Heavy Atoms | 9 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 59776-60-2 |
|---|---|
| SMILES | C1=C(C=[N+](C=C1Cl)[O-])Cl |
| InChIKey | RODXBOIDZPQDBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dichloropyridin-1-ium-1-olate (CAS 59776-60-2), with molecular formula C5H3Cl2NO and molecular weight 162.96 g/mol. IUPAC: 3,5-dichloro-1-oxidopyridin-1-ium.
Chemical Property Profile of 3,5-Dichloropyridin-1-ium-1-olate
Property Insights of 3,5-Dichloropyridin-1-ium-1-olate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dichloropyridin-1-ium-1-olate. With a topological polar surface area (TPSA) of 25.5 Ų, 3,5-Dichloropyridin-1-ium-1-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dichloropyridin-1-ium-1-olate has 0 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 3,5-Dichloropyridin-1-ium-1-olate?
The CAS number of 3,5-Dichloropyridin-1-ium-1-olate is 59776-60-2.
What is the molecular formula of 3,5-Dichloropyridin-1-ium-1-olate?
The molecular formula of 3,5-Dichloropyridin-1-ium-1-olate is C5H3Cl2NO.
What is the molecular weight of 3,5-Dichloropyridin-1-ium-1-olate?
The molecular weight of 3,5-Dichloropyridin-1-ium-1-olate is 162.96 g/mol.
Where can I buy 3,5-Dichloropyridin-1-ium-1-olate?
You can request a quote for 3,5-Dichloropyridin-1-ium-1-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dichloropyridin-1-ium-1-olate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dichloropyridin-1-ium-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.