![3-[(4-chlorophenyl)methyl]-2H-oxadiazol-3-ium-5-one structure](/static/products/7283/72836-41-0.webp)
3-[(4-chlorophenyl)methyl]-2H-oxadiazol-3-ium-5-one
TL;DR: 3-[(4-chlorophenyl)methyl]-2H-oxadiazol-3-ium-5-one (CAS 72836-41-0) is a chemical compound with molecular formula C9H8ClN2O2+ and molecular weight 211.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methyl]-2H-oxadiazol-3-ium-5-one
Also Known As: 3-[(4-chlorophenyl)methyl]-2H-oxadiazol-3-ium-5-one, 3-[(4-Chlorophenyl)methyl]-5-oxo-2,5-dihydro-1,2,3-oxadiazol-3-ium
| Molecular Formula | C9H8ClN2O2+ |
|---|---|
| Molecular Weight | 211.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 41.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.02744 |
| Heavy Atoms | 14 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 72836-41-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C[N+]2=CC(=O)ON2)Cl |
| InChIKey | OGNJCAOVOBWPNK-UHFFFAOYSA-O |
Product Overview
3-[(4-chlorophenyl)methyl]-2H-oxadiazol-3-ium-5-one (CAS 72836-41-0), with molecular formula C9H8ClN2O2+ and molecular weight 211.03 g/mol. IUPAC: 3-[(4-chlorophenyl)methyl]-2H-oxadiazol-3-ium-5-one.
Chemical Property Profile of 3-[(4-chlorophenyl)methyl]-2H-oxadiazol-3-ium-5-one
Property Insights of 3-[(4-chlorophenyl)methyl]-2H-oxadiazol-3-ium-5-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-chlorophenyl)methyl]-2H-oxadiazol-3-ium-5-one. With a topological polar surface area (TPSA) of 41.3 Ų, 3-[(4-chlorophenyl)methyl]-2H-oxadiazol-3-ium-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-chlorophenyl)methyl]-2H-oxadiazol-3-ium-5-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 3-[(4-chlorophenyl)methyl]-2H-oxadiazol-3-ium-5-one?
The CAS number of 3-[(4-chlorophenyl)methyl]-2H-oxadiazol-3-ium-5-one is 72836-41-0.
What is the molecular formula of 3-[(4-chlorophenyl)methyl]-2H-oxadiazol-3-ium-5-one?
The molecular formula of 3-[(4-chlorophenyl)methyl]-2H-oxadiazol-3-ium-5-one is C9H8ClN2O2+.
What is the molecular weight of 3-[(4-chlorophenyl)methyl]-2H-oxadiazol-3-ium-5-one?
The molecular weight of 3-[(4-chlorophenyl)methyl]-2H-oxadiazol-3-ium-5-one is 211.03 g/mol.
Where can I buy 3-[(4-chlorophenyl)methyl]-2H-oxadiazol-3-ium-5-one?
You can request a quote for 3-[(4-chlorophenyl)methyl]-2H-oxadiazol-3-ium-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-chlorophenyl)methyl]-2H-oxadiazol-3-ium-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-chlorophenyl)methyl]-2H-oxadiazol-3-ium-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.