3-(2,4-Dimethylphenyl)-4-iodo-1,2,3-oxadiazol-3-ium-5-olate
TL;DR: 3-(2,4-Dimethylphenyl)-4-iodo-1,2,3-oxadiazol-3-ium-5-olate (CAS 358334-40-4) is a chemical compound with molecular formula C10H9IN2O2 and molecular weight 315.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dimethylphenyl)-4-iodooxadiazol-3-ium-5-olate
Also Known As: 3-(2,4-DIMETHYL-PHENYL)-4-IODO-SYDNONE, 3-(2,4-dimethylphenyl)-4-iodo-1,2,3-oxadiazol-3-ium-5-olate, 3-(2,4-dimethylphenyl)-4-iodooxadiazol-3-ium-5-olate, 3-(2,4-dimethylphenyl)-4-iodo-1-oxa-2-aza-3-azoniacyclopenta-2,4-dien-5-olate
| Molecular Formula | C10H9IN2O2 |
|---|---|
| Molecular Weight | 315.97 g/mol |
| LogP | 1.24634 |
| Topological Polar Surface Area | 52.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 315.9709 |
| Heavy Atoms | 15 |
| Complexity | 508.11865 |
Chemical Identifiers
| CAS Number | 358334-40-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)[N+]2=NOC(=C2I)[O-])C |
Product Overview
3-(2,4-Dimethylphenyl)-4-iodo-1,2,3-oxadiazol-3-ium-5-olate (CAS 358334-40-4), with molecular formula C10H9IN2O2 and molecular weight 315.97 g/mol. IUPAC: 3-(2,4-dimethylphenyl)-4-iodooxadiazol-3-ium-5-olate.
Chemical Property Profile of 3-(2,4-Dimethylphenyl)-4-iodo-1,2,3-oxadiazol-3-ium-5-olate
Property Insights of 3-(2,4-Dimethylphenyl)-4-iodo-1,2,3-oxadiazol-3-ium-5-olate
The XLogP value of 1.24634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,4-Dimethylphenyl)-4-iodo-1,2,3-oxadiazol-3-ium-5-olate. With a topological polar surface area (TPSA) of 52.97 Ų, 3-(2,4-Dimethylphenyl)-4-iodo-1,2,3-oxadiazol-3-ium-5-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,4-Dimethylphenyl)-4-iodo-1,2,3-oxadiazol-3-ium-5-olate has 0 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-(2,4-Dimethylphenyl)-4-iodo-1,2,3-oxadiazol-3-ium-5-olate?
The CAS number of 3-(2,4-Dimethylphenyl)-4-iodo-1,2,3-oxadiazol-3-ium-5-olate is 358334-40-4.
What is the molecular formula of 3-(2,4-Dimethylphenyl)-4-iodo-1,2,3-oxadiazol-3-ium-5-olate?
The molecular formula of 3-(2,4-Dimethylphenyl)-4-iodo-1,2,3-oxadiazol-3-ium-5-olate is C10H9IN2O2.
What is the molecular weight of 3-(2,4-Dimethylphenyl)-4-iodo-1,2,3-oxadiazol-3-ium-5-olate?
The molecular weight of 3-(2,4-Dimethylphenyl)-4-iodo-1,2,3-oxadiazol-3-ium-5-olate is 315.97 g/mol.
Where can I buy 3-(2,4-Dimethylphenyl)-4-iodo-1,2,3-oxadiazol-3-ium-5-olate?
You can request a quote for 3-(2,4-Dimethylphenyl)-4-iodo-1,2,3-oxadiazol-3-ium-5-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,4-Dimethylphenyl)-4-iodo-1,2,3-oxadiazol-3-ium-5-olate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4-Dimethylphenyl)-4-iodo-1,2,3-oxadiazol-3-ium-5-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.