![5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyltetrazole structure](/static/products/4460/446052-52-4.webp)
5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyltetrazole
TL;DR: 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyltetrazole (CAS 446052-52-4) is a chemical compound with molecular formula C16H13ClN4O2S and molecular weight 360.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyltetrazole
Also Known As: 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyltetrazole, (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 1-phenyl-1H-tetraazol-5-yl sulfide, 5-[(6-chloro(2H,4H-benzo[e]1,3-dioxin-8-yl))methylthio]-1-phenyl-1,2,3,4-tetra azole, 5-{[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-1-phenyl-1H-tetrazole
| Molecular Formula | C16H13ClN4O2S |
|---|---|
| Molecular Weight | 360.04 g/mol |
| LogP | 3.4745 |
| Topological Polar Surface Area | 62.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.04477 |
| Heavy Atoms | 24 |
| Complexity | 856.5387 |
Chemical Identifiers
| CAS Number | 446052-52-4 |
|---|---|
| SMILES | C1C2=C(C(=CC(=C2)Cl)CSC3=NN=NN3C4=CC=CC=C4)OCO1 |
Product Overview
5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyltetrazole (CAS 446052-52-4), with molecular formula C16H13ClN4O2S and molecular weight 360.04 g/mol. IUPAC: 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyltetrazole.
Chemical Property Profile of 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyltetrazole
Property Insights of 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyltetrazole
The XLogP value of 3.4745 indicates that 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyltetrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyltetrazole. Following Lipinski's Rule of Five, 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyltetrazole has 0 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-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyltetrazole?
The CAS number of 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyltetrazole is 446052-52-4.
What is the molecular formula of 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyltetrazole?
The molecular formula of 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyltetrazole is C16H13ClN4O2S.
What is the molecular weight of 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyltetrazole?
The molecular weight of 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyltetrazole is 360.04 g/mol.
Where can I buy 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyltetrazole?
You can request a quote for 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyltetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyltetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyltetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.