4-(1-Prop-2-ynylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
TL;DR: 4-(1-Prop-2-ynylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (CAS 328243-88-5) is a chemical compound with molecular formula C12H9N5O and molecular weight 239.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-prop-2-ynylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
Also Known As: BAS 00548389, AB00091862-01, 4-(1-prop-2-ynylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine, A1438/0063775, Furazan-3-amine, 4-[1-(2-propynyl)benzimidazol-2-yl]-
| Molecular Formula | C12H9N5O |
|---|---|
| Molecular Weight | 239.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 82.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.0807 |
| Heavy Atoms | 18 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 328243-88-5 |
|---|---|
| SMILES | C#CCN1C2=CC=CC=C2N=C1C3=NON=C3N |
| InChIKey | BKGOWPYQEFOGAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(1-Prop-2-ynylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (CAS 328243-88-5), with molecular formula C12H9N5O and molecular weight 239.08 g/mol. IUPAC: 4-(1-prop-2-ynylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.
Chemical Property Profile of 4-(1-Prop-2-ynylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
Property Insights of 4-(1-Prop-2-ynylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-Prop-2-ynylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1-Prop-2-ynylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine. Following Lipinski's Rule of Five, 4-(1-Prop-2-ynylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine has 1 hydrogen bond donor(s) and 5 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-(1-Prop-2-ynylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The CAS number of 4-(1-Prop-2-ynylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is 328243-88-5.
What is the molecular formula of 4-(1-Prop-2-ynylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The molecular formula of 4-(1-Prop-2-ynylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is C12H9N5O.
What is the molecular weight of 4-(1-Prop-2-ynylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The molecular weight of 4-(1-Prop-2-ynylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is 239.08 g/mol.
Where can I buy 4-(1-Prop-2-ynylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
You can request a quote for 4-(1-Prop-2-ynylbenzimidazol-2-yl)-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-(1-Prop-2-ynylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Prop-2-ynylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.