DUP-860 free base
TL;DR: DUP-860 free base (CAS 124669-21-2) is a chemical compound with molecular formula C18H15Cl2N3O and molecular weight 359.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)but-3-en-2-ol
Also Known As: DUP-860 free base, DuP 860, alpha-(4-Chlorophenyl)-alpha-(1-(2-chlorophenyl)ethenyl)-1H-1,2,4-triazole-1-ethanol, 1H-1,2,4-Triazole-1-ethanol, alpha-(4-chlorophenyl)-alpha-(1-(2-chlorophenyl)ethenyl)-, 1-[3-(2-Chlorophenyl)-2-hydroxy-2-(4-chlorophenyl)-3-butenyl]-1H-1,2,4-triazole
| Molecular Formula | C18H15Cl2N3O |
|---|---|
| Molecular Weight | 359.06 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.0592 |
| Heavy Atoms | 24 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 124669-21-2 |
|---|---|
| SMILES | C=C(C1=CC=CC=C1Cl)C(CN2C=NC=N2)(C3=CC=C(C=C3)Cl)O |
| InChIKey | RNKZWLLOIOLSMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
DUP-860 free base (CAS 124669-21-2), with molecular formula C18H15Cl2N3O and molecular weight 359.06 g/mol. IUPAC: 3-(2-chlorophenyl)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)but-3-en-2-ol.
Chemical Property Profile of DUP-860 free base
Property Insights of DUP-860 free base
The XLogP value of 4.6 indicates that DUP-860 free base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.9 Ų, DUP-860 free base exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, DUP-860 free base has 1 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 DUP-860 free base?
The CAS number of DUP-860 free base is 124669-21-2.
What is the molecular formula of DUP-860 free base?
The molecular formula of DUP-860 free base is C18H15Cl2N3O.
What is the molecular weight of DUP-860 free base?
The molecular weight of DUP-860 free base is 359.06 g/mol.
Where can I buy DUP-860 free base?
You can request a quote for DUP-860 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DUP-860 free base?
Yes, KEHONG BIO provides custom synthesis services for DUP-860 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.