Clonixeril
TL;DR: Clonixeril (CAS 21829-22-1) is a chemical compound with molecular formula C16H17ClN2O4 and molecular weight 336.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydroxypropyl 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate
Also Known As: Clonixerilo, clonixerilum, Sch 12707, CLONIXERIL [INN], Clonixeril (USAN/INN)
| Molecular Formula | C16H17ClN2O4 |
|---|---|
| Molecular Weight | 336.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 336.08768 |
| Heavy Atoms | 23 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 21829-22-1 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)C(=O)OCC(CO)O |
| InChIKey | SWYJYGCPTGKBDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Clonixeril (CAS 21829-22-1), with molecular formula C16H17ClN2O4 and molecular weight 336.09 g/mol. IUPAC: 2,3-dihydroxypropyl 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate.
Chemical Property Profile of Clonixeril
Property Insights of Clonixeril
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Clonixeril. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Clonixeril. Following Lipinski's Rule of Five, Clonixeril has 3 hydrogen bond donor(s) and 6 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 Clonixeril?
The CAS number of Clonixeril is 21829-22-1.
What is the molecular formula of Clonixeril?
The molecular formula of Clonixeril is C16H17ClN2O4.
What is the molecular weight of Clonixeril?
The molecular weight of Clonixeril is 336.09 g/mol.
Where can I buy Clonixeril?
You can request a quote for Clonixeril directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clonixeril?
Yes, KEHONG BIO provides custom synthesis services for Clonixeril and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.