![5-[(6-Chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-phenyltetrazole structure](/static/products/3092/309289-48-3.webp)
5-[(6-Chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-phenyltetrazole
TL;DR: 5-[(6-Chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-phenyltetrazole (CAS 309289-48-3) is a chemical compound with molecular formula C15H11ClN4O2S and molecular weight 346.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-phenyltetrazole
Also Known As: BAS 02332091, BIM-0047700.P001, 5-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-phenyltetrazole, 5-(6-Chloro-benzo[1,3]dioxol-5-ylmethylsulfanyl)-1-phenyl-1H-tetrazole, 5-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-phenyl-1H-tetrazole
| Molecular Formula | C15H11ClN4O2S |
|---|---|
| Molecular Weight | 346.03 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.0291 |
| Heavy Atoms | 23 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 309289-48-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)CSC3=NN=NN3C4=CC=CC=C4)Cl |
| InChIKey | OYICCNVINKNSCX-UHFFFAOYSA-N |
Product Overview
5-[(6-Chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-phenyltetrazole (CAS 309289-48-3), with molecular formula C15H11ClN4O2S and molecular weight 346.03 g/mol. IUPAC: 5-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-phenyltetrazole.
Chemical Property Profile of 5-[(6-Chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-phenyltetrazole
Property Insights of 5-[(6-Chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-phenyltetrazole
The XLogP value of 4.0 indicates that 5-[(6-Chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-phenyltetrazole 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 5-[(6-Chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-phenyltetrazole. Following Lipinski's Rule of Five, 5-[(6-Chloro-1,3-benzodioxol-5-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-1,3-benzodioxol-5-yl)methylsulfanyl]-1-phenyltetrazole?
The CAS number of 5-[(6-Chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-phenyltetrazole is 309289-48-3.
What is the molecular formula of 5-[(6-Chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-phenyltetrazole?
The molecular formula of 5-[(6-Chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-phenyltetrazole is C15H11ClN4O2S.
What is the molecular weight of 5-[(6-Chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-phenyltetrazole?
The molecular weight of 5-[(6-Chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-phenyltetrazole is 346.03 g/mol.
Where can I buy 5-[(6-Chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-phenyltetrazole?
You can request a quote for 5-[(6-Chloro-1,3-benzodioxol-5-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-1,3-benzodioxol-5-yl)methylsulfanyl]-1-phenyltetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[(6-Chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-phenyltetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.