![benzyl 2-{[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate structure](/static/products/3147/314745-65-8.webp)
benzyl 2-{[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate
TL;DR: benzyl 2-{[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate (CAS 314745-65-8) is a chemical compound with molecular formula C26H19NO5S and molecular weight 457.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxochromen-7-yl]oxyacetate
Also Known As: BIM-0002762.P001, benzyl 2-{[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate, F0380-0030, benzyl {[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate, benzyl 2-((3-(benzo[d]thiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)acetate
| Molecular Formula | C26H19NO5S |
|---|---|
| Molecular Weight | 457.10 g/mol |
| LogP | 5.50032 |
| Topological Polar Surface Area | 78.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.0984 |
| Heavy Atoms | 33 |
| Complexity | 1487.8489 |
Chemical Identifiers
| CAS Number | 314745-65-8 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)OCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4 |
Product Overview
benzyl 2-{[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate (CAS 314745-65-8), with molecular formula C26H19NO5S and molecular weight 457.10 g/mol. IUPAC: benzyl 2-[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxochromen-7-yl]oxyacetate.
Chemical Property Profile of benzyl 2-{[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate
Property Insights of benzyl 2-{[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate
The XLogP value of 5.50032 indicates that benzyl 2-{[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.63 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl 2-{[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate. Following Lipinski's Rule of Five, benzyl 2-{[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of benzyl 2-{[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate?
The CAS number of benzyl 2-{[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate is 314745-65-8.
What is the molecular formula of benzyl 2-{[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate?
The molecular formula of benzyl 2-{[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate is C26H19NO5S.
What is the molecular weight of benzyl 2-{[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate?
The molecular weight of benzyl 2-{[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate is 457.10 g/mol.
Where can I buy benzyl 2-{[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate?
You can request a quote for benzyl 2-{[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl 2-{[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 2-{[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.