3-(1,3-benzothiazol-2-yl)-6-bromo-2H-chromen-2-one
TL;DR: 3-(1,3-benzothiazol-2-yl)-6-bromo-2H-chromen-2-one (CAS 111036-38-5) is a chemical compound with molecular formula C16H8BrNO2S and molecular weight 356.94592 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,3-benzothiazol-2-yl)-6-bromochromen-2-one
Also Known As: BAS 01290171, 3-benzothiazol-2-yl-6-bromochromen-2-one, 3-(benzo[d]thiazol-2-yl)-6-bromo-2h-chromen-2-one, 3-Benzothiazol-2-yl-6-bromo-chromen-2-one, 3-(1,3-benzothiazol-2-yl)-6-bromo-2H-chromen-2-one
Technical Specifications
| Molecular Formula | C16H8BrNO2S |
| Molecular Weight | 356.94592 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 356.94592 Da |
| Heavy Atoms | 21 |
| Complexity | 469.0 |
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC4=C(C=CC(=C4)Br)OC3=O |
| InChIKey | IIJGVZAEJAKKJO-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1,3-benzothiazol-2-yl)-6-bromo-2H-chromen-2-one
Property Insights of 3-(1,3-benzothiazol-2-yl)-6-bromo-2H-chromen-2-one
The XLogP value of 4.7 indicates that 3-(1,3-benzothiazol-2-yl)-6-bromo-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-benzothiazol-2-yl)-6-bromo-2H-chromen-2-one. Following Lipinski's Rule of Five, 3-(1,3-benzothiazol-2-yl)-6-bromo-2H-chromen-2-one 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
What is the CAS number of 3-(1,3-benzothiazol-2-yl)-6-bromo-2H-chromen-2-one?
The CAS number of 3-(1,3-benzothiazol-2-yl)-6-bromo-2H-chromen-2-one is 111036-38-5.
What is the molecular formula of 3-(1,3-benzothiazol-2-yl)-6-bromo-2H-chromen-2-one?
The molecular formula of 3-(1,3-benzothiazol-2-yl)-6-bromo-2H-chromen-2-one is C16H8BrNO2S.
What is the molecular weight of 3-(1,3-benzothiazol-2-yl)-6-bromo-2H-chromen-2-one?
The molecular weight of 3-(1,3-benzothiazol-2-yl)-6-bromo-2H-chromen-2-one is 356.94592 g/mol.
Where can I buy 3-(1,3-benzothiazol-2-yl)-6-bromo-2H-chromen-2-one?
You can request a quote for 3-(1,3-benzothiazol-2-yl)-6-bromo-2H-chromen-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1,3-benzothiazol-2-yl)-6-bromo-2H-chromen-2-one?
Yes, CoreyChem provides custom synthesis services for 3-(1,3-benzothiazol-2-yl)-6-bromo-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.