1-(1-Benzofuran-2-ylsulfanyl)-3-(1H-1,2,3-benzotriazol-1-yl)propan-2-one
TL;DR: 1-(1-Benzofuran-2-ylsulfanyl)-3-(1H-1,2,3-benzotriazol-1-yl)propan-2-one (CAS 413603-89-1) is a chemical compound with molecular formula C17H13N3O2S and molecular weight 323.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-benzofuran-2-ylsulfanyl)-3-(benzotriazol-1-yl)propan-2-one
Also Known As: 1-(1-Benzofuran-2-ylsulfanyl)-3-(1H-1,2,3-benzotriazol-1-yl)propan-2-one, J1.654.100A, 1-benzofuran-2-ylsulfanyl-3-benzotriazol-1-yl-propan-2-one, 1-(1H-Benzotriazole-1-yl)-3-[(benzofuran-2-yl)thio]acetone, 1-(1-benzofuran-2-ylsulfanyl)-3-(benzotriazol-1-yl)propan-2-one
| Molecular Formula | C17H13N3O2S |
|---|---|
| Molecular Weight | 323.07 g/mol |
| LogP | 3.5389 |
| Topological Polar Surface Area | 60.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.07285 |
| Heavy Atoms | 23 |
| Complexity | 956.51825 |
Chemical Identifiers
| CAS Number | 413603-89-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(O2)SCC(=O)CN3C4=CC=CC=C4N=N3 |
Product Overview
1-(1-Benzofuran-2-ylsulfanyl)-3-(1H-1,2,3-benzotriazol-1-yl)propan-2-one (CAS 413603-89-1), with molecular formula C17H13N3O2S and molecular weight 323.07 g/mol. IUPAC: 1-(1-benzofuran-2-ylsulfanyl)-3-(benzotriazol-1-yl)propan-2-one.
Chemical Property Profile of 1-(1-Benzofuran-2-ylsulfanyl)-3-(1H-1,2,3-benzotriazol-1-yl)propan-2-one
Property Insights of 1-(1-Benzofuran-2-ylsulfanyl)-3-(1H-1,2,3-benzotriazol-1-yl)propan-2-one
The XLogP value of 3.5389 indicates that 1-(1-Benzofuran-2-ylsulfanyl)-3-(1H-1,2,3-benzotriazol-1-yl)propan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-Benzofuran-2-ylsulfanyl)-3-(1H-1,2,3-benzotriazol-1-yl)propan-2-one. Following Lipinski's Rule of Five, 1-(1-Benzofuran-2-ylsulfanyl)-3-(1H-1,2,3-benzotriazol-1-yl)propan-2-one 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-(1-Benzofuran-2-ylsulfanyl)-3-(1H-1,2,3-benzotriazol-1-yl)propan-2-one?
The CAS number of 1-(1-Benzofuran-2-ylsulfanyl)-3-(1H-1,2,3-benzotriazol-1-yl)propan-2-one is 413603-89-1.
What is the molecular formula of 1-(1-Benzofuran-2-ylsulfanyl)-3-(1H-1,2,3-benzotriazol-1-yl)propan-2-one?
The molecular formula of 1-(1-Benzofuran-2-ylsulfanyl)-3-(1H-1,2,3-benzotriazol-1-yl)propan-2-one is C17H13N3O2S.
What is the molecular weight of 1-(1-Benzofuran-2-ylsulfanyl)-3-(1H-1,2,3-benzotriazol-1-yl)propan-2-one?
The molecular weight of 1-(1-Benzofuran-2-ylsulfanyl)-3-(1H-1,2,3-benzotriazol-1-yl)propan-2-one is 323.07 g/mol.
Where can I buy 1-(1-Benzofuran-2-ylsulfanyl)-3-(1H-1,2,3-benzotriazol-1-yl)propan-2-one?
You can request a quote for 1-(1-Benzofuran-2-ylsulfanyl)-3-(1H-1,2,3-benzotriazol-1-yl)propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Benzofuran-2-ylsulfanyl)-3-(1H-1,2,3-benzotriazol-1-yl)propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Benzofuran-2-ylsulfanyl)-3-(1H-1,2,3-benzotriazol-1-yl)propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.