![4-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}but-2-yn-1-ol structure](/static/products/7273/727386-33-6.webp)
4-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}but-2-yn-1-ol
TL;DR: 4-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}but-2-yn-1-ol (CAS 727386-33-6) is a chemical compound with molecular formula C12H12N4O2S and molecular weight 276.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylbut-2-yn-1-ol
Also Known As: BAS 10848646, 4-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylbut-2-yn-1-ol, 4-((1-(4-Methoxyphenyl)-1H-tetrazol-5-yl)thio)but-2-yn-1-ol, 4-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}but-2-yn-1-ol, 4-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}but-2-yn-1-ol
| Molecular Formula | C12H12N4O2S |
|---|---|
| Molecular Weight | 276.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.06808 |
| Heavy Atoms | 19 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 727386-33-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=N2)SCC#CCO |
| InChIKey | RBNGKASQYOPSIR-UHFFFAOYSA-N |
Product Overview
4-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}but-2-yn-1-ol (CAS 727386-33-6), with molecular formula C12H12N4O2S and molecular weight 276.07 g/mol. IUPAC: 4-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylbut-2-yn-1-ol.
Chemical Property Profile of 4-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}but-2-yn-1-ol
Property Insights of 4-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}but-2-yn-1-ol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}but-2-yn-1-ol. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}but-2-yn-1-ol. Following Lipinski's Rule of Five, 4-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}but-2-yn-1-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 4-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}but-2-yn-1-ol?
The CAS number of 4-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}but-2-yn-1-ol is 727386-33-6.
What is the molecular formula of 4-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}but-2-yn-1-ol?
The molecular formula of 4-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}but-2-yn-1-ol is C12H12N4O2S.
What is the molecular weight of 4-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}but-2-yn-1-ol?
The molecular weight of 4-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}but-2-yn-1-ol is 276.07 g/mol.
Where can I buy 4-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}but-2-yn-1-ol?
You can request a quote for 4-{[1-(4-methoxyphenyl)-1H-tetrazol-5-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-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}but-2-yn-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}but-2-yn-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.