4-Chloro-3-methylpyridin-1-ium-1-olate
TL;DR: 4-Chloro-3-methylpyridin-1-ium-1-olate (CAS 117703-85-2) is a chemical compound with molecular formula C6H6ClNO and molecular weight 143.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-methyl-1-oxidopyridin-1-ium
Also Known As: 4-Chloro-3-methylpyridine 1-oxide, 4-chloro-3-methylpyridin-1-ium-1-olate, 4-chloro-3-methyl-1-oxidopyridin-1-ium, 4-chloro-3-methyl-1-oxido-pyridine, Pyridine,4-chloro-3-methyl-, 1-oxide
| Molecular Formula | C6H6ClNO |
|---|---|
| Molecular Weight | 143.01 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 25.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.0138 |
| Heavy Atoms | 9 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 117703-85-2 |
|---|---|
| SMILES | CC1=C(C=C[N+](=C1)[O-])Cl |
| InChIKey | ZVOJIYQUDWBKNC-UHFFFAOYSA-N |
Product Overview
4-Chloro-3-methylpyridin-1-ium-1-olate (CAS 117703-85-2), with molecular formula C6H6ClNO and molecular weight 143.01 g/mol. IUPAC: 4-chloro-3-methyl-1-oxidopyridin-1-ium.
Chemical Property Profile of 4-Chloro-3-methylpyridin-1-ium-1-olate
Property Insights of 4-Chloro-3-methylpyridin-1-ium-1-olate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-methylpyridin-1-ium-1-olate. With a topological polar surface area (TPSA) of 25.5 Ų, 4-Chloro-3-methylpyridin-1-ium-1-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3-methylpyridin-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 4-Chloro-3-methylpyridin-1-ium-1-olate?
The CAS number of 4-Chloro-3-methylpyridin-1-ium-1-olate is 117703-85-2.
What is the molecular formula of 4-Chloro-3-methylpyridin-1-ium-1-olate?
The molecular formula of 4-Chloro-3-methylpyridin-1-ium-1-olate is C6H6ClNO.
What is the molecular weight of 4-Chloro-3-methylpyridin-1-ium-1-olate?
The molecular weight of 4-Chloro-3-methylpyridin-1-ium-1-olate is 143.01 g/mol.
Where can I buy 4-Chloro-3-methylpyridin-1-ium-1-olate?
You can request a quote for 4-Chloro-3-methylpyridin-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 4-Chloro-3-methylpyridin-1-ium-1-olate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-methylpyridin-1-ium-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.