3-(4-Bromo-2-isopropylphenyl)-1,2,3-oxadiazol-3-ium-5-olate
TL;DR: 3-(4-Bromo-2-isopropylphenyl)-1,2,3-oxadiazol-3-ium-5-olate (CAS 623940-58-9) is a chemical compound with molecular formula C11H11BrN2O2 and molecular weight 282.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromo-2-propan-2-ylphenyl)oxadiazol-3-ium-5-olate
Also Known As: 3-(4-BROMO-2-ISOPROPYLPHENYL)SYDNONE, 3-(4-Bromo-2-isopropylphenyl)-1,2,3-oxadiazol-3-ium-5-olate, 3-(4-bromo-2-propan-2-ylphenyl)oxadiazol-3-ium-5-olate, 3-(4-bromo-2-propan-2-yl-phenyl)-1-oxa-2-aza-3-azoniacyclopenta-2,4-dien-5-olate
| Molecular Formula | C11H11BrN2O2 |
|---|---|
| Molecular Weight | 282.00 g/mol |
| LogP | 1.9108 |
| Topological Polar Surface Area | 52.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.0004 |
| Heavy Atoms | 16 |
| Complexity | 508.4357 |
Chemical Identifiers
| CAS Number | 623940-58-9 |
|---|---|
| SMILES | CC(C)C1=C(C=CC(=C1)Br)[N+]2=NOC(=C2)[O-] |
Product Overview
3-(4-Bromo-2-isopropylphenyl)-1,2,3-oxadiazol-3-ium-5-olate (CAS 623940-58-9), with molecular formula C11H11BrN2O2 and molecular weight 282.00 g/mol. IUPAC: 3-(4-bromo-2-propan-2-ylphenyl)oxadiazol-3-ium-5-olate.
Chemical Property Profile of 3-(4-Bromo-2-isopropylphenyl)-1,2,3-oxadiazol-3-ium-5-olate
Property Insights of 3-(4-Bromo-2-isopropylphenyl)-1,2,3-oxadiazol-3-ium-5-olate
The XLogP value of 1.9108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Bromo-2-isopropylphenyl)-1,2,3-oxadiazol-3-ium-5-olate. With a topological polar surface area (TPSA) of 52.97 Ų, 3-(4-Bromo-2-isopropylphenyl)-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-(4-Bromo-2-isopropylphenyl)-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-(4-Bromo-2-isopropylphenyl)-1,2,3-oxadiazol-3-ium-5-olate?
The CAS number of 3-(4-Bromo-2-isopropylphenyl)-1,2,3-oxadiazol-3-ium-5-olate is 623940-58-9.
What is the molecular formula of 3-(4-Bromo-2-isopropylphenyl)-1,2,3-oxadiazol-3-ium-5-olate?
The molecular formula of 3-(4-Bromo-2-isopropylphenyl)-1,2,3-oxadiazol-3-ium-5-olate is C11H11BrN2O2.
What is the molecular weight of 3-(4-Bromo-2-isopropylphenyl)-1,2,3-oxadiazol-3-ium-5-olate?
The molecular weight of 3-(4-Bromo-2-isopropylphenyl)-1,2,3-oxadiazol-3-ium-5-olate is 282.00 g/mol.
Where can I buy 3-(4-Bromo-2-isopropylphenyl)-1,2,3-oxadiazol-3-ium-5-olate?
You can request a quote for 3-(4-Bromo-2-isopropylphenyl)-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-(4-Bromo-2-isopropylphenyl)-1,2,3-oxadiazol-3-ium-5-olate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromo-2-isopropylphenyl)-1,2,3-oxadiazol-3-ium-5-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.