4-(4-Chlorophenyl)-1,2,5-oxadiazol-3-amine
TL;DR: 4-(4-Chlorophenyl)-1,2,5-oxadiazol-3-amine (CAS 21741-98-0) is a chemical compound with molecular formula C8H6ClN3O and molecular weight 195.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-1,2,5-oxadiazol-3-amine
Also Known As: 4-(4-Chlorophenyl)-1,2,5-oxadiazol-3-amine, Maybridge3_004792, 1,2,5-Oxadiazol-3-amine, 4-(4-chlorophenyl)-, 3-Amino-4-(4-chlorophenyl)furazan, IDI1_016179
| Molecular Formula | C8H6ClN3O |
|---|---|
| Molecular Weight | 195.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.01994 |
| Heavy Atoms | 13 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 21741-98-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NON=C2N)Cl |
| InChIKey | NLEBVIVMWGDDRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-Chlorophenyl)-1,2,5-oxadiazol-3-amine (CAS 21741-98-0), with molecular formula C8H6ClN3O and molecular weight 195.02 g/mol. IUPAC: 4-(4-chlorophenyl)-1,2,5-oxadiazol-3-amine.
Chemical Property Profile of 4-(4-Chlorophenyl)-1,2,5-oxadiazol-3-amine
Property Insights of 4-(4-Chlorophenyl)-1,2,5-oxadiazol-3-amine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Chlorophenyl)-1,2,5-oxadiazol-3-amine. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Chlorophenyl)-1,2,5-oxadiazol-3-amine. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-1,2,5-oxadiazol-3-amine has 1 hydrogen bond donor(s) and 4 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-(4-Chlorophenyl)-1,2,5-oxadiazol-3-amine?
The CAS number of 4-(4-Chlorophenyl)-1,2,5-oxadiazol-3-amine is 21741-98-0.
What is the molecular formula of 4-(4-Chlorophenyl)-1,2,5-oxadiazol-3-amine?
The molecular formula of 4-(4-Chlorophenyl)-1,2,5-oxadiazol-3-amine is C8H6ClN3O.
What is the molecular weight of 4-(4-Chlorophenyl)-1,2,5-oxadiazol-3-amine?
The molecular weight of 4-(4-Chlorophenyl)-1,2,5-oxadiazol-3-amine is 195.02 g/mol.
Where can I buy 4-(4-Chlorophenyl)-1,2,5-oxadiazol-3-amine?
You can request a quote for 4-(4-Chlorophenyl)-1,2,5-oxadiazol-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chlorophenyl)-1,2,5-oxadiazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenyl)-1,2,5-oxadiazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.