![5-[3,4-Dichlorophenyl]-1,3,4-oxadiazol-2[3H]-one structure](/static/products/721/72116-06-4.png)
5-[3,4-Dichlorophenyl]-1,3,4-oxadiazol-2[3H]-one
TL;DR: 5-[3,4-Dichlorophenyl]-1,3,4-oxadiazol-2[3H]-one (CAS 72116-06-4) is a chemical compound with molecular formula C8H4Cl2N2O2 and molecular weight 229.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-dichlorophenyl)-3H-1,3,4-oxadiazol-2-one
Also Known As: US11634391, Compound 83, 5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-ol, 5-[3,4-Dichlorophenyl]-1,3,4-oxadiazol-2[3H]-one, 5-(3,4-dichlorophenyl)-1,3,4-oxadiazole-2(3H)-one, 5-(3,4-dichlorophenyl)-1,3,4-oxadiazole-2(3h)one
| Molecular Formula | C8H4Cl2N2O2 |
|---|---|
| Molecular Weight | 229.96 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.96498 |
| Heavy Atoms | 14 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 72116-06-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=NNC(=O)O2)Cl)Cl |
| InChIKey | UOMZJZLXDZFENX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-[3,4-Dichlorophenyl]-1,3,4-oxadiazol-2[3H]-one (CAS 72116-06-4), with molecular formula C8H4Cl2N2O2 and molecular weight 229.96 g/mol. IUPAC: 5-(3,4-dichlorophenyl)-3H-1,3,4-oxadiazol-2-one.
Chemical Property Profile of 5-[3,4-Dichlorophenyl]-1,3,4-oxadiazol-2[3H]-one
Property Insights of 5-[3,4-Dichlorophenyl]-1,3,4-oxadiazol-2[3H]-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[3,4-Dichlorophenyl]-1,3,4-oxadiazol-2[3H]-one. With a topological polar surface area (TPSA) of 50.7 Ų, 5-[3,4-Dichlorophenyl]-1,3,4-oxadiazol-2[3H]-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[3,4-Dichlorophenyl]-1,3,4-oxadiazol-2[3H]-one 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 5-[3,4-Dichlorophenyl]-1,3,4-oxadiazol-2[3H]-one?
The CAS number of 5-[3,4-Dichlorophenyl]-1,3,4-oxadiazol-2[3H]-one is 72116-06-4.
What is the molecular formula of 5-[3,4-Dichlorophenyl]-1,3,4-oxadiazol-2[3H]-one?
The molecular formula of 5-[3,4-Dichlorophenyl]-1,3,4-oxadiazol-2[3H]-one is C8H4Cl2N2O2.
What is the molecular weight of 5-[3,4-Dichlorophenyl]-1,3,4-oxadiazol-2[3H]-one?
The molecular weight of 5-[3,4-Dichlorophenyl]-1,3,4-oxadiazol-2[3H]-one is 229.96 g/mol.
Where can I buy 5-[3,4-Dichlorophenyl]-1,3,4-oxadiazol-2[3H]-one?
You can request a quote for 5-[3,4-Dichlorophenyl]-1,3,4-oxadiazol-2[3H]-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[3,4-Dichlorophenyl]-1,3,4-oxadiazol-2[3H]-one?
Yes, KEHONG BIO provides custom synthesis services for 5-[3,4-Dichlorophenyl]-1,3,4-oxadiazol-2[3H]-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.