2H-1-Benzopyran-2-imine, 3-(2-benzothiazolyl)-6-bromo-
TL;DR: 2H-1-Benzopyran-2-imine, 3-(2-benzothiazolyl)-6-bromo- (CAS 111016-52-5) is a chemical compound with molecular formula C16H9BrN2OS and molecular weight 355.9619 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-imine
Also Known As: 2H-1-Benzopyran-2-imine, 3-(2-benzothiazolyl)-6-bromo-, 3-benzothiazol-2-yl-6-bromochromen-2-imine, 3-benzothiazol-2-yl-6-bromo-chromen-2-imine, 3-(1,3-benzothiazol-2-yl)-6-bromochromen-2-imine, 2H-1-Benzopyran-2-imine,3-(2-benzothiazolyl)-6-bromo
Technical Specifications
| Molecular Formula | C16H9BrN2OS |
| Molecular Weight | 355.9619 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 74.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 355.9619 Da |
| Heavy Atoms | 21 |
| Complexity | 469.0 |
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC4=C(C=CC(=C4)Br)OC3=N |
| InChIKey | GTROFPYAZCWJBB-UHFFFAOYSA-N |
Chemical Property Profile of 2H-1-Benzopyran-2-imine, 3-(2-benzothiazolyl)-6-bromo-
Property Insights of 2H-1-Benzopyran-2-imine, 3-(2-benzothiazolyl)-6-bromo-
The XLogP value of 4.8 indicates that 2H-1-Benzopyran-2-imine, 3-(2-benzothiazolyl)-6-bromo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1-Benzopyran-2-imine, 3-(2-benzothiazolyl)-6-bromo-. Following Lipinski's Rule of Five, 2H-1-Benzopyran-2-imine, 3-(2-benzothiazolyl)-6-bromo- has 1 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 2H-1-Benzopyran-2-imine, 3-(2-benzothiazolyl)-6-bromo-?
The CAS number of 2H-1-Benzopyran-2-imine, 3-(2-benzothiazolyl)-6-bromo- is 111016-52-5.
What is the molecular formula of 2H-1-Benzopyran-2-imine, 3-(2-benzothiazolyl)-6-bromo-?
The molecular formula of 2H-1-Benzopyran-2-imine, 3-(2-benzothiazolyl)-6-bromo- is C16H9BrN2OS.
What is the molecular weight of 2H-1-Benzopyran-2-imine, 3-(2-benzothiazolyl)-6-bromo-?
The molecular weight of 2H-1-Benzopyran-2-imine, 3-(2-benzothiazolyl)-6-bromo- is 355.9619 g/mol.
Where can I buy 2H-1-Benzopyran-2-imine, 3-(2-benzothiazolyl)-6-bromo-?
You can request a quote for 2H-1-Benzopyran-2-imine, 3-(2-benzothiazolyl)-6-bromo- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2H-1-Benzopyran-2-imine, 3-(2-benzothiazolyl)-6-bromo-?
Yes, CoreyChem provides custom synthesis services for 2H-1-Benzopyran-2-imine, 3-(2-benzothiazolyl)-6-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.