![1-(1,3-Benzodioxol-5-yl)-5-[(3-fluorophenyl)methylsulfanyl]tetrazole structure](/static/products/3535/353501-91-4.webp)
1-(1,3-Benzodioxol-5-yl)-5-[(3-fluorophenyl)methylsulfanyl]tetrazole
TL;DR: 1-(1,3-Benzodioxol-5-yl)-5-[(3-fluorophenyl)methylsulfanyl]tetrazole (CAS 353501-91-4) is a chemical compound with molecular formula C15H11FN4O2S and molecular weight 330.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-5-[(3-fluorophenyl)methylsulfanyl]tetrazole
Also Known As: BAS 02331703, 1-(1,3-dioxaindan-5-yl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazole, AB00104944-01, AN-465/14013022, 1-(1,3-benzodioxol-5-yl)-5-[(3-fluorophenyl)methylsulfanyl]tetrazole
| Molecular Formula | C15H11FN4O2S |
|---|---|
| Molecular Weight | 330.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.0587 |
| Heavy Atoms | 23 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 353501-91-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)N3C(=NN=N3)SCC4=CC(=CC=C4)F |
| InChIKey | YDHJTPHPBFXMRO-UHFFFAOYSA-N |
Product Overview
1-(1,3-Benzodioxol-5-yl)-5-[(3-fluorophenyl)methylsulfanyl]tetrazole (CAS 353501-91-4), with molecular formula C15H11FN4O2S and molecular weight 330.06 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-5-[(3-fluorophenyl)methylsulfanyl]tetrazole.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)-5-[(3-fluorophenyl)methylsulfanyl]tetrazole
Property Insights of 1-(1,3-Benzodioxol-5-yl)-5-[(3-fluorophenyl)methylsulfanyl]tetrazole
The XLogP value of 3.5 indicates that 1-(1,3-Benzodioxol-5-yl)-5-[(3-fluorophenyl)methylsulfanyl]tetrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Benzodioxol-5-yl)-5-[(3-fluorophenyl)methylsulfanyl]tetrazole. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)-5-[(3-fluorophenyl)methylsulfanyl]tetrazole has 0 hydrogen bond donor(s) and 7 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 1-(1,3-Benzodioxol-5-yl)-5-[(3-fluorophenyl)methylsulfanyl]tetrazole?
The CAS number of 1-(1,3-Benzodioxol-5-yl)-5-[(3-fluorophenyl)methylsulfanyl]tetrazole is 353501-91-4.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)-5-[(3-fluorophenyl)methylsulfanyl]tetrazole?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)-5-[(3-fluorophenyl)methylsulfanyl]tetrazole is C15H11FN4O2S.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)-5-[(3-fluorophenyl)methylsulfanyl]tetrazole?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)-5-[(3-fluorophenyl)methylsulfanyl]tetrazole is 330.06 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)-5-[(3-fluorophenyl)methylsulfanyl]tetrazole?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)-5-[(3-fluorophenyl)methylsulfanyl]tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzodioxol-5-yl)-5-[(3-fluorophenyl)methylsulfanyl]tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)-5-[(3-fluorophenyl)methylsulfanyl]tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.