5-(Naphthylmethylthio)-1-phenyl-1,2,3,4-tetraazole
TL;DR: 5-(Naphthylmethylthio)-1-phenyl-1,2,3,4-tetraazole (CAS 313530-01-7) is a chemical compound with molecular formula C18H14N4S and molecular weight 318.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(naphthalen-1-ylmethylsulfanyl)-1-phenyltetrazole
Also Known As: J3.486.769K, 5-(naphthalen-1-ylmethylsulfanyl)-1-phenyltetrazole, 1-Phenyl-5-(1-naphthylmethylthio)-1H-tetrazole, 5-(naphthylmethylthio)-1-phenyl-1,2,3,4-tetraazole, 5-((naphthalen-1-ylmethyl)thio)-1-phenyl-1H-tetrazole
| Molecular Formula | C18H14N4S |
|---|---|
| Molecular Weight | 318.09 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.0939 |
| Heavy Atoms | 23 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 313530-01-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=CC4=CC=CC=C43 |
| InChIKey | OFKZUQHQKWIIAF-UHFFFAOYSA-N |
Product Overview
5-(Naphthylmethylthio)-1-phenyl-1,2,3,4-tetraazole (CAS 313530-01-7), with molecular formula C18H14N4S and molecular weight 318.09 g/mol. IUPAC: 5-(naphthalen-1-ylmethylsulfanyl)-1-phenyltetrazole.
Chemical Property Profile of 5-(Naphthylmethylthio)-1-phenyl-1,2,3,4-tetraazole
Property Insights of 5-(Naphthylmethylthio)-1-phenyl-1,2,3,4-tetraazole
The XLogP value of 4.8 indicates that 5-(Naphthylmethylthio)-1-phenyl-1,2,3,4-tetraazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Naphthylmethylthio)-1-phenyl-1,2,3,4-tetraazole. Following Lipinski's Rule of Five, 5-(Naphthylmethylthio)-1-phenyl-1,2,3,4-tetraazole has 0 hydrogen bond donor(s) and 4 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-(Naphthylmethylthio)-1-phenyl-1,2,3,4-tetraazole?
The CAS number of 5-(Naphthylmethylthio)-1-phenyl-1,2,3,4-tetraazole is 313530-01-7.
What is the molecular formula of 5-(Naphthylmethylthio)-1-phenyl-1,2,3,4-tetraazole?
The molecular formula of 5-(Naphthylmethylthio)-1-phenyl-1,2,3,4-tetraazole is C18H14N4S.
What is the molecular weight of 5-(Naphthylmethylthio)-1-phenyl-1,2,3,4-tetraazole?
The molecular weight of 5-(Naphthylmethylthio)-1-phenyl-1,2,3,4-tetraazole is 318.09 g/mol.
Where can I buy 5-(Naphthylmethylthio)-1-phenyl-1,2,3,4-tetraazole?
You can request a quote for 5-(Naphthylmethylthio)-1-phenyl-1,2,3,4-tetraazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Naphthylmethylthio)-1-phenyl-1,2,3,4-tetraazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(Naphthylmethylthio)-1-phenyl-1,2,3,4-tetraazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.