![1-(2,4-dimethylphenyl)-5-[(phenylsulfonyl)methyl]-1H-tetrazole structure](/static/products/898/898653-25-3.png)
1-(2,4-dimethylphenyl)-5-[(phenylsulfonyl)methyl]-1H-tetrazole
TL;DR: 1-(2,4-dimethylphenyl)-5-[(phenylsulfonyl)methyl]-1H-tetrazole (CAS 898653-25-3) is a chemical compound with molecular formula C16H16N4O2S and molecular weight 328.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzenesulfonylmethyl)-1-(2,4-dimethylphenyl)tetrazole
Also Known As: 1-(2,4-dimethylphenyl)-5-[(phenylsulfonyl)methyl]-1H-tetrazole, 5-(benzenesulfonylmethyl)-1-(2,4-dimethylphenyl)tetrazole, 1-(2,4-dimethylphenyl)-5-((phenylsulfonyl)methyl)-1H-tetrazole, ({[1-(2,4-dimethylphenyl)-1,2,3,4-tetraazol-5-yl]methyl}sulfonyl)benzene
| Molecular Formula | C16H16N4O2S |
|---|---|
| Molecular Weight | 328.10 g/mol |
| LogP | 2.25304 |
| Topological Polar Surface Area | 77.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.0994 |
| Heavy Atoms | 23 |
| Complexity | 933.7239 |
Chemical Identifiers
| CAS Number | 898653-25-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=NN=N2)CS(=O)(=O)C3=CC=CC=C3)C |
Product Overview
1-(2,4-dimethylphenyl)-5-[(phenylsulfonyl)methyl]-1H-tetrazole (CAS 898653-25-3), with molecular formula C16H16N4O2S and molecular weight 328.10 g/mol. IUPAC: 5-(benzenesulfonylmethyl)-1-(2,4-dimethylphenyl)tetrazole.
Chemical Property Profile of 1-(2,4-dimethylphenyl)-5-[(phenylsulfonyl)methyl]-1H-tetrazole
Property Insights of 1-(2,4-dimethylphenyl)-5-[(phenylsulfonyl)methyl]-1H-tetrazole
The XLogP value of 2.25304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,4-dimethylphenyl)-5-[(phenylsulfonyl)methyl]-1H-tetrazole. The TPSA of 77.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,4-dimethylphenyl)-5-[(phenylsulfonyl)methyl]-1H-tetrazole. Following Lipinski's Rule of Five, 1-(2,4-dimethylphenyl)-5-[(phenylsulfonyl)methyl]-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-(2,4-dimethylphenyl)-5-[(phenylsulfonyl)methyl]-1H-tetrazole?
The CAS number of 1-(2,4-dimethylphenyl)-5-[(phenylsulfonyl)methyl]-1H-tetrazole is 898653-25-3.
What is the molecular formula of 1-(2,4-dimethylphenyl)-5-[(phenylsulfonyl)methyl]-1H-tetrazole?
The molecular formula of 1-(2,4-dimethylphenyl)-5-[(phenylsulfonyl)methyl]-1H-tetrazole is C16H16N4O2S.
What is the molecular weight of 1-(2,4-dimethylphenyl)-5-[(phenylsulfonyl)methyl]-1H-tetrazole?
The molecular weight of 1-(2,4-dimethylphenyl)-5-[(phenylsulfonyl)methyl]-1H-tetrazole is 328.10 g/mol.
Where can I buy 1-(2,4-dimethylphenyl)-5-[(phenylsulfonyl)methyl]-1H-tetrazole?
You can request a quote for 1-(2,4-dimethylphenyl)-5-[(phenylsulfonyl)methyl]-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-(2,4-dimethylphenyl)-5-[(phenylsulfonyl)methyl]-1H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-dimethylphenyl)-5-[(phenylsulfonyl)methyl]-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.