ChemDiv3_014856
TL;DR: ChemDiv3_014856 (CAS 846594-43-2) is a chemical compound with molecular formula C17H14N2O4S and molecular weight 342.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-2-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one
Also Known As: ChemDiv3_014856, 1,1-dioxo-2-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one, 2-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide, 2-((3-phenyl-4,5-dihydroisoxazol-5-yl)methyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide
| Molecular Formula | C17H14N2O4S |
|---|---|
| Molecular Weight | 342.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 84.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.0674 |
| Heavy Atoms | 24 |
| Complexity | 633.0 |
Chemical Identifiers
| CAS Number | 846594-43-2 |
|---|---|
| SMILES | C1C(ON=C1C2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4S3(=O)=O |
| InChIKey | QLLBBQCCNWNGTJ-UHFFFAOYSA-N |
Product Overview
ChemDiv3_014856 (CAS 846594-43-2), with molecular formula C17H14N2O4S and molecular weight 342.07 g/mol. IUPAC: 1,1-dioxo-2-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one.
Chemical Property Profile of ChemDiv3_014856
Property Insights of ChemDiv3_014856
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_014856. The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_014856. Following Lipinski's Rule of Five, ChemDiv3_014856 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 ChemDiv3_014856?
The CAS number of ChemDiv3_014856 is 846594-43-2.
What is the molecular formula of ChemDiv3_014856?
The molecular formula of ChemDiv3_014856 is C17H14N2O4S.
What is the molecular weight of ChemDiv3_014856?
The molecular weight of ChemDiv3_014856 is 342.07 g/mol.
Where can I buy ChemDiv3_014856?
You can request a quote for ChemDiv3_014856 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_014856?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_014856 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.