1-(Phenylsulfonyl)-1H-benzotriazole
TL;DR: 1-(Phenylsulfonyl)-1H-benzotriazole (CAS 41288-20-4) is a chemical compound with molecular formula C12H9N3O2S and molecular weight 259.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)benzotriazole
Also Known As: 1-(Phenylsulfonyl)-1H-benzotriazole, 1-(benzenesulfonyl)benzotriazole, CBChromo1_000098, N-Phenylsulfonylbenzotriazol, (phenylsulfonyl)benzotriazole
| Molecular Formula | C12H9N3O2S |
|---|---|
| Molecular Weight | 259.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.04153 |
| Heavy Atoms | 18 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 41288-20-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=N2 |
| InChIKey | ZMGFTNXUMSRNMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Phenylsulfonyl)-1H-benzotriazole (CAS 41288-20-4), with molecular formula C12H9N3O2S and molecular weight 259.04 g/mol. IUPAC: 1-(benzenesulfonyl)benzotriazole.
Chemical Property Profile of 1-(Phenylsulfonyl)-1H-benzotriazole
Property Insights of 1-(Phenylsulfonyl)-1H-benzotriazole
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Phenylsulfonyl)-1H-benzotriazole. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Phenylsulfonyl)-1H-benzotriazole. Following Lipinski's Rule of Five, 1-(Phenylsulfonyl)-1H-benzotriazole 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-(Phenylsulfonyl)-1H-benzotriazole?
The CAS number of 1-(Phenylsulfonyl)-1H-benzotriazole is 41288-20-4.
What is the molecular formula of 1-(Phenylsulfonyl)-1H-benzotriazole?
The molecular formula of 1-(Phenylsulfonyl)-1H-benzotriazole is C12H9N3O2S.
What is the molecular weight of 1-(Phenylsulfonyl)-1H-benzotriazole?
The molecular weight of 1-(Phenylsulfonyl)-1H-benzotriazole is 259.04 g/mol.
Where can I buy 1-(Phenylsulfonyl)-1H-benzotriazole?
You can request a quote for 1-(Phenylsulfonyl)-1H-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Phenylsulfonyl)-1H-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(Phenylsulfonyl)-1H-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.