5-(2-Chlorophenyl)-1,3,4-oxadiazol-2(3H)-one
TL;DR: 5-(2-Chlorophenyl)-1,3,4-oxadiazol-2(3H)-one (CAS 83725-77-3) is a chemical compound with molecular formula C8H5ClN2O2 and molecular weight 196.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-chlorophenyl)-3H-1,3,4-oxadiazol-2-one
Also Known As: 5-(2-chlorophenyl)-3H-1,3,4-oxadiazol-2-one, US11634391, Compound 230, 5-(2-Chlorophenyl)-1,3,4-oxadiazol-2(3H)-one, 5-(2-chlorophenyl)-1,3,4-oxadiazol-2-ol, BAS 09896278
| Molecular Formula | C8H5ClN2O2 |
|---|---|
| Molecular Weight | 196.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.00395 |
| Heavy Atoms | 13 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 83725-77-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NNC(=O)O2)Cl |
| InChIKey | CSCRXHWRAQVFTE-UHFFFAOYSA-N |
Product Overview
5-(2-Chlorophenyl)-1,3,4-oxadiazol-2(3H)-one (CAS 83725-77-3), with molecular formula C8H5ClN2O2 and molecular weight 196.00 g/mol. IUPAC: 5-(2-chlorophenyl)-3H-1,3,4-oxadiazol-2-one.
Chemical Property Profile of 5-(2-Chlorophenyl)-1,3,4-oxadiazol-2(3H)-one
Property Insights of 5-(2-Chlorophenyl)-1,3,4-oxadiazol-2(3H)-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Chlorophenyl)-1,3,4-oxadiazol-2(3H)-one. With a topological polar surface area (TPSA) of 50.7 Ų, 5-(2-Chlorophenyl)-1,3,4-oxadiazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-Chlorophenyl)-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-(2-Chlorophenyl)-1,3,4-oxadiazol-2(3H)-one?
The CAS number of 5-(2-Chlorophenyl)-1,3,4-oxadiazol-2(3H)-one is 83725-77-3.
What is the molecular formula of 5-(2-Chlorophenyl)-1,3,4-oxadiazol-2(3H)-one?
The molecular formula of 5-(2-Chlorophenyl)-1,3,4-oxadiazol-2(3H)-one is C8H5ClN2O2.
What is the molecular weight of 5-(2-Chlorophenyl)-1,3,4-oxadiazol-2(3H)-one?
The molecular weight of 5-(2-Chlorophenyl)-1,3,4-oxadiazol-2(3H)-one is 196.00 g/mol.
Where can I buy 5-(2-Chlorophenyl)-1,3,4-oxadiazol-2(3H)-one?
You can request a quote for 5-(2-Chlorophenyl)-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-(2-Chlorophenyl)-1,3,4-oxadiazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Chlorophenyl)-1,3,4-oxadiazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.