5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-ol
TL;DR: 5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-ol (CAS 63698-53-3) is a chemical compound with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4,5-trimethoxyphenyl)-3H-1,3,4-oxadiazol-2-one
Also Known As: 5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-ol, trimethoxyphenyloxadiazolol, 5-(3,4,5-trimethoxyphenyl)-3H-1,3,4-oxadiazol-2-one, J3.418.564F, AN-329/42685743
| Molecular Formula | C11H12N2O5 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.07462 |
| Heavy Atoms | 18 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 63698-53-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NNC(=O)O2 |
| InChIKey | NOAMAHAIBKUAMA-UHFFFAOYSA-N |
Product Overview
5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-ol (CAS 63698-53-3), with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol. IUPAC: 5-(3,4,5-trimethoxyphenyl)-3H-1,3,4-oxadiazol-2-one.
Chemical Property Profile of 5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-ol
Property Insights of 5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-ol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-ol. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-ol. Following Lipinski's Rule of Five, 5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-ol has 1 hydrogen bond donor(s) and 6 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-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-ol?
The CAS number of 5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-ol is 63698-53-3.
What is the molecular formula of 5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-ol?
The molecular formula of 5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-ol is C11H12N2O5.
What is the molecular weight of 5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-ol?
The molecular weight of 5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-ol is 252.07 g/mol.
Where can I buy 5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-ol?
You can request a quote for 5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.