1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)benzotriazole
TL;DR: 1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)benzotriazole (CAS 879049-86-2) is a chemical compound with molecular formula C14H11N3O4S and molecular weight 317.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzotriazole
Also Known As: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzotriazole, ASN 14406578, AP-263/43419392, 6-(benzotriazolylsulfonyl)-2H,3H-benzo[e]1,4-dioxin, 1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1H-1,2,3-benzotriazole
| Molecular Formula | C14H11N3O4S |
|---|---|
| Molecular Weight | 317.05 g/mol |
| LogP | 1.4395 |
| Topological Polar Surface Area | 83.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.04703 |
| Heavy Atoms | 22 |
| Complexity | 965.13336 |
Chemical Identifiers
| CAS Number | 879049-86-2 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N3C4=CC=CC=C4N=N3 |
Product Overview
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)benzotriazole (CAS 879049-86-2), with molecular formula C14H11N3O4S and molecular weight 317.05 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzotriazole.
Chemical Property Profile of 1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)benzotriazole
Property Insights of 1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)benzotriazole
The XLogP value of 1.4395 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)benzotriazole. The TPSA of 83.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)benzotriazole. Following Lipinski's Rule of Five, 1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)benzotriazole has 0 hydrogen bond donor(s) and 6 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-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)benzotriazole?
The CAS number of 1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)benzotriazole is 879049-86-2.
What is the molecular formula of 1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)benzotriazole?
The molecular formula of 1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)benzotriazole is C14H11N3O4S.
What is the molecular weight of 1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)benzotriazole?
The molecular weight of 1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)benzotriazole is 317.05 g/mol.
Where can I buy 1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)benzotriazole?
You can request a quote for 1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.