5-(1,3-Benzodioxol-5-ylmethylsulfanyl)-1-phenyltetrazole
TL;DR: 5-(1,3-Benzodioxol-5-ylmethylsulfanyl)-1-phenyltetrazole (CAS 425652-61-5) is a chemical compound with molecular formula C15H12N4O2S and molecular weight 312.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-phenyltetrazole
Also Known As: BAS 02550000, AN-648/15099023, 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-phenyltetrazole, 1,3-benzodioxol-5-ylmethyl 1-phenyl-1H-tetraazol-5-yl sulfide, 5-(Benzo[1,3]dioxol-5-ylmethylsulfanyl)-1-phenyl-1H-tetrazole
| Molecular Formula | C15H12N4O2S |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | 2.6833 |
| Topological Polar Surface Area | 62.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.06808 |
| Heavy Atoms | 22 |
| Complexity | 791.24634 |
Chemical Identifiers
| CAS Number | 425652-61-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CSC3=NN=NN3C4=CC=CC=C4 |
Product Overview
5-(1,3-Benzodioxol-5-ylmethylsulfanyl)-1-phenyltetrazole (CAS 425652-61-5), with molecular formula C15H12N4O2S and molecular weight 312.07 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-phenyltetrazole.
Chemical Property Profile of 5-(1,3-Benzodioxol-5-ylmethylsulfanyl)-1-phenyltetrazole
Property Insights of 5-(1,3-Benzodioxol-5-ylmethylsulfanyl)-1-phenyltetrazole
The XLogP value of 2.6833 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1,3-Benzodioxol-5-ylmethylsulfanyl)-1-phenyltetrazole. The TPSA of 62.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1,3-Benzodioxol-5-ylmethylsulfanyl)-1-phenyltetrazole. Following Lipinski's Rule of Five, 5-(1,3-Benzodioxol-5-ylmethylsulfanyl)-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-(1,3-Benzodioxol-5-ylmethylsulfanyl)-1-phenyltetrazole?
The CAS number of 5-(1,3-Benzodioxol-5-ylmethylsulfanyl)-1-phenyltetrazole is 425652-61-5.
What is the molecular formula of 5-(1,3-Benzodioxol-5-ylmethylsulfanyl)-1-phenyltetrazole?
The molecular formula of 5-(1,3-Benzodioxol-5-ylmethylsulfanyl)-1-phenyltetrazole is C15H12N4O2S.
What is the molecular weight of 5-(1,3-Benzodioxol-5-ylmethylsulfanyl)-1-phenyltetrazole?
The molecular weight of 5-(1,3-Benzodioxol-5-ylmethylsulfanyl)-1-phenyltetrazole is 312.07 g/mol.
Where can I buy 5-(1,3-Benzodioxol-5-ylmethylsulfanyl)-1-phenyltetrazole?
You can request a quote for 5-(1,3-Benzodioxol-5-ylmethylsulfanyl)-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-(1,3-Benzodioxol-5-ylmethylsulfanyl)-1-phenyltetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-Benzodioxol-5-ylmethylsulfanyl)-1-phenyltetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.