![4-{[5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-ol structure](/static/products/7273/727386-48-3.webp)
4-{[5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-ol
TL;DR: 4-{[5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-ol (CAS 727386-48-3) is a chemical compound with molecular formula C15H16N2O5S and molecular weight 336.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-yn-1-ol
Also Known As: 4-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-ol, BAS 10848665, AP-853/43261176, 4-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-yn-1-ol, 4-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butyn-1-ol
| Molecular Formula | C15H16N2O5S |
|---|---|
| Molecular Weight | 336.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.078 |
| Heavy Atoms | 23 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 727386-48-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCC#CCO |
| InChIKey | RZDBUSCVIKBRFQ-UHFFFAOYSA-N |
Product Overview
4-{[5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-ol (CAS 727386-48-3), with molecular formula C15H16N2O5S and molecular weight 336.08 g/mol. IUPAC: 4-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-yn-1-ol.
Chemical Property Profile of 4-{[5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-ol
Property Insights of 4-{[5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-ol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-ol. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-ol. Following Lipinski's Rule of Five, 4-{[5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-ol has 1 hydrogen bond donor(s) and 8 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 4-{[5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-ol?
The CAS number of 4-{[5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-ol is 727386-48-3.
What is the molecular formula of 4-{[5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-ol?
The molecular formula of 4-{[5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-ol is C15H16N2O5S.
What is the molecular weight of 4-{[5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-ol?
The molecular weight of 4-{[5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-ol is 336.08 g/mol.
Where can I buy 4-{[5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-ol?
You can request a quote for 4-{[5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-{[5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.