1-(3,4-Dimethylphenyl)sulfonylbenzotriazole
TL;DR: 1-(3,4-Dimethylphenyl)sulfonylbenzotriazole (CAS 438478-22-9) is a chemical compound with molecular formula C14H13N3O2S and molecular weight 287.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethylphenyl)sulfonylbenzotriazole
Also Known As: 1-(3,4-dimethylphenyl)sulfonylbenzotriazole, BAS 00668003, [(3,4-dimethylphenyl)sulfonyl]benzotriazole, 1-(3,4-Dimethyl-benzenesulfonyl)-1H-benzotriazole, 1-(3,4-dimethylbenzenesulfonyl)-1H-1,2,3-benzotriazole
| Molecular Formula | C14H13N3O2S |
|---|---|
| Molecular Weight | 287.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.07285 |
| Heavy Atoms | 20 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 438478-22-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=N2)C |
| InChIKey | IBLGRFPHIKMEER-UHFFFAOYSA-N |
Product Overview
1-(3,4-Dimethylphenyl)sulfonylbenzotriazole (CAS 438478-22-9), with molecular formula C14H13N3O2S and molecular weight 287.07 g/mol. IUPAC: 1-(3,4-dimethylphenyl)sulfonylbenzotriazole.
Chemical Property Profile of 1-(3,4-Dimethylphenyl)sulfonylbenzotriazole
Property Insights of 1-(3,4-Dimethylphenyl)sulfonylbenzotriazole
The XLogP value of 3.1 indicates that 1-(3,4-Dimethylphenyl)sulfonylbenzotriazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-Dimethylphenyl)sulfonylbenzotriazole. Following Lipinski's Rule of Five, 1-(3,4-Dimethylphenyl)sulfonylbenzotriazole 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 1-(3,4-Dimethylphenyl)sulfonylbenzotriazole?
The CAS number of 1-(3,4-Dimethylphenyl)sulfonylbenzotriazole is 438478-22-9.
What is the molecular formula of 1-(3,4-Dimethylphenyl)sulfonylbenzotriazole?
The molecular formula of 1-(3,4-Dimethylphenyl)sulfonylbenzotriazole is C14H13N3O2S.
What is the molecular weight of 1-(3,4-Dimethylphenyl)sulfonylbenzotriazole?
The molecular weight of 1-(3,4-Dimethylphenyl)sulfonylbenzotriazole is 287.07 g/mol.
Where can I buy 1-(3,4-Dimethylphenyl)sulfonylbenzotriazole?
You can request a quote for 1-(3,4-Dimethylphenyl)sulfonylbenzotriazole 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-Dimethylphenyl)sulfonylbenzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethylphenyl)sulfonylbenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.