1-(3,4-Dimethyl-phenyl)-5-(2-fluoro-benzylsulfanyl)-1H-tetrazole
TL;DR: 1-(3,4-Dimethyl-phenyl)-5-(2-fluoro-benzylsulfanyl)-1H-tetrazole (CAS 431890-60-7) is a chemical compound with molecular formula C16H15FN4S and molecular weight 314.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethylphenyl)-5-[(2-fluorophenyl)methylsulfanyl]tetrazole
Also Known As: AN-465/40934292, 1-(3,4-Dimethyl-phenyl)-5-(2-fluoro-benzylsulfanyl)-1H-tetrazole, 1-(3,4-dimethylphenyl)-5-[(2-fluorophenyl)methylsulfanyl]tetrazole, A2622/0111545, 1-(3,4-dimethylphenyl)-5-((2-fluorobenzyl)thio)-1H-tetrazole
| Molecular Formula | C16H15FN4S |
|---|---|
| Molecular Weight | 314.10 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.10016 |
| Heavy Atoms | 22 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 431890-60-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=NN=N2)SCC3=CC=CC=C3F)C |
| InChIKey | ABTAJBGXZSOEKX-UHFFFAOYSA-N |
Product Overview
1-(3,4-Dimethyl-phenyl)-5-(2-fluoro-benzylsulfanyl)-1H-tetrazole (CAS 431890-60-7), with molecular formula C16H15FN4S and molecular weight 314.10 g/mol. IUPAC: 1-(3,4-dimethylphenyl)-5-[(2-fluorophenyl)methylsulfanyl]tetrazole.
Chemical Property Profile of 1-(3,4-Dimethyl-phenyl)-5-(2-fluoro-benzylsulfanyl)-1H-tetrazole
Property Insights of 1-(3,4-Dimethyl-phenyl)-5-(2-fluoro-benzylsulfanyl)-1H-tetrazole
The XLogP value of 4.4 indicates that 1-(3,4-Dimethyl-phenyl)-5-(2-fluoro-benzylsulfanyl)-1H-tetrazole 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 1-(3,4-Dimethyl-phenyl)-5-(2-fluoro-benzylsulfanyl)-1H-tetrazole. Following Lipinski's Rule of Five, 1-(3,4-Dimethyl-phenyl)-5-(2-fluoro-benzylsulfanyl)-1H-tetrazole has 0 hydrogen bond donor(s) and 5 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-(3,4-Dimethyl-phenyl)-5-(2-fluoro-benzylsulfanyl)-1H-tetrazole?
The CAS number of 1-(3,4-Dimethyl-phenyl)-5-(2-fluoro-benzylsulfanyl)-1H-tetrazole is 431890-60-7.
What is the molecular formula of 1-(3,4-Dimethyl-phenyl)-5-(2-fluoro-benzylsulfanyl)-1H-tetrazole?
The molecular formula of 1-(3,4-Dimethyl-phenyl)-5-(2-fluoro-benzylsulfanyl)-1H-tetrazole is C16H15FN4S.
What is the molecular weight of 1-(3,4-Dimethyl-phenyl)-5-(2-fluoro-benzylsulfanyl)-1H-tetrazole?
The molecular weight of 1-(3,4-Dimethyl-phenyl)-5-(2-fluoro-benzylsulfanyl)-1H-tetrazole is 314.10 g/mol.
Where can I buy 1-(3,4-Dimethyl-phenyl)-5-(2-fluoro-benzylsulfanyl)-1H-tetrazole?
You can request a quote for 1-(3,4-Dimethyl-phenyl)-5-(2-fluoro-benzylsulfanyl)-1H-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dimethyl-phenyl)-5-(2-fluoro-benzylsulfanyl)-1H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethyl-phenyl)-5-(2-fluoro-benzylsulfanyl)-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.