3,5-二氯-4-吡啶酮
TL;DR: 3,5-二氯-4-吡啶酮 (CAS 17228-71-6) 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.
3,5-二氯-4-吡啶酮
3,5-dichloro-1H-pyridin-4-one
Also Known As: 3,5-Dichloropyridin-4-ol, 3,5-Dichloro-4-hydroxypyridine, 3,5-Dichloro-4-pyridone, 3,5-dichloropyridin-4(1H)-one, 3,5-dichloro-1H-pyridin-4-one
| Molecular Formula | C5H3Cl2NO |
|---|---|
| Molecular Weight | 162.96 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.95917 |
| Heavy Atoms | 9 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 17228-71-6 |
|---|---|
| SMILES | C1=C(C(=O)C(=CN1)Cl)Cl |
| InChIKey | YKCQWIYRLMNGMO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-二氯-4-吡啶酮 (CAS 17228-71-6), with molecular formula C5H3Cl2NO and molecular weight 162.96 g/mol. IUPAC: 3,5-dichloro-1H-pyridin-4-one.
Chemical Property Profile of 3,5-二氯-4-吡啶酮
Property Insights of 3,5-二氯-4-吡啶酮
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-二氯-4-吡啶酮. With a topological polar surface area (TPSA) of 29.1 Ų, 3,5-二氯-4-吡啶酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-二氯-4-吡啶酮 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 3,5-二氯-4-吡啶酮?
The CAS number of 3,5-二氯-4-吡啶酮 is 17228-71-6.
What is the molecular formula of 3,5-二氯-4-吡啶酮?
The molecular formula of 3,5-二氯-4-吡啶酮 is C5H3Cl2NO.
What is the molecular weight of 3,5-二氯-4-吡啶酮?
The molecular weight of 3,5-二氯-4-吡啶酮 is 162.96 g/mol.
Where can I buy 3,5-二氯-4-吡啶酮?
You can request a quote for 3,5-二氯-4-吡啶酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-二氯-4-吡啶酮?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二氯-4-吡啶酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.