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 355.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C16H9BrN2OS |
|---|---|
| Molecular Weight | 355.96 g/mol |
| LogP | 4.95147 |
| Topological Polar Surface Area | 49.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 355.9619 |
| Heavy Atoms | 21 |
| Complexity | 1002.2445 |
Chemical Identifiers
| CAS Number | 111016-52-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC4=C(C=CC(=C4)Br)OC3=N |
Product Overview
2H-1-Benzopyran-2-imine, 3-(2-benzothiazolyl)-6-bromo- (CAS 111016-52-5), with molecular formula C16H9BrN2OS and molecular weight 355.96 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-6-bromochromen-2-imine.
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 4.95147 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. With a topological polar surface area (TPSA) of 49.88 Ų, 2H-1-Benzopyran-2-imine, 3-(2-benzothiazolyl)-6-bromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. 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
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 355.96 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-Benzopyran-2-imine, 3-(2-benzothiazolyl)-6-bromo-?
Yes, KEHONG BIO 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.