2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
TL;DR: 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone (CAS 694518-60-0) is a chemical compound with molecular formula C17H13NO3S2 and molecular weight 343.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
Also Known As: CBKinase1_004908, CBKinase1_017308, 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone, AB00338653-04, AP-853/42160677
| Molecular Formula | C17H13NO3S2 |
|---|---|
| Molecular Weight | 343.03 g/mol |
| LogP | 4.0425 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.0337 |
| Heavy Atoms | 23 |
| Complexity | 842.1559 |
Chemical Identifiers
| CAS Number | 694518-60-0 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NC4=CC=CC=C4S3 |
Product Overview
2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone (CAS 694518-60-0), with molecular formula C17H13NO3S2 and molecular weight 343.03 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
Property Insights of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
The XLogP value of 4.0425 indicates that 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.42 Ų, 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone 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 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone?
The CAS number of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone is 694518-60-0.
What is the molecular formula of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone?
The molecular formula of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone is C17H13NO3S2.
What is the molecular weight of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone?
The molecular weight of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone is 343.03 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone?
You can request a quote for 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.