Azafenidin
TL;DR: Azafenidin (CAS 68049-83-2) is a chemical compound with molecular formula C15H13Cl2N3O2 and molecular weight 337.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
Also Known As: Azafenidin, Azafeniden, Milestone, Evolus, Azafenidin [ISO]
| Molecular Formula | C15H13Cl2N3O2 |
|---|---|
| Molecular Weight | 337.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 45.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.03848 |
| Heavy Atoms | 22 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 68049-83-2 |
|---|---|
| SMILES | C#CCOC1=C(C=C(C(=C1)N2C(=O)N3CCCCC3=N2)Cl)Cl |
| InChIKey | XOEMATDHVZOBSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Azafenidin (CAS 68049-83-2), with molecular formula C15H13Cl2N3O2 and molecular weight 337.04 g/mol. IUPAC: 2-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
Chemical Property Profile of Azafenidin
Property Insights of Azafenidin
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azafenidin. With a topological polar surface area (TPSA) of 45.1 Ų, Azafenidin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azafenidin has 0 hydrogen bond donor(s) and 3 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 Azafenidin?
The CAS number of Azafenidin is 68049-83-2.
What is the molecular formula of Azafenidin?
The molecular formula of Azafenidin is C15H13Cl2N3O2.
What is the molecular weight of Azafenidin?
The molecular weight of Azafenidin is 337.04 g/mol.
Where can I buy Azafenidin?
You can request a quote for Azafenidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azafenidin?
Yes, KEHONG BIO provides custom synthesis services for Azafenidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.