![tert-butyl 2-{[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl]oxy}acetate structure](/static/products/3152/315237-67-3.webp)
tert-butyl 2-{[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl]oxy}acetate
TL;DR: tert-butyl 2-{[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl]oxy}acetate (CAS 315237-67-3) is a chemical compound with molecular formula C22H19NO5S and molecular weight 409.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[3-(1,3-benzothiazol-2-yl)-2-oxochromen-7-yl]oxyacetate
Also Known As: BIM-0002449.P001, UPCMLD0ENAT0504-6790:001, AB00140474-03, tert-butyl 2-{[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl]oxy}acetate, F0821-0186
| Molecular Formula | C22H19NO5S |
|---|---|
| Molecular Weight | 409.10 g/mol |
| LogP | 4.7902 |
| Topological Polar Surface Area | 78.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.0984 |
| Heavy Atoms | 29 |
| Complexity | 1232.6589 |
Chemical Identifiers
| CAS Number | 315237-67-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)COC1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4S3 |
Product Overview
tert-butyl 2-{[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl]oxy}acetate (CAS 315237-67-3), with molecular formula C22H19NO5S and molecular weight 409.10 g/mol. IUPAC: tert-butyl 2-[3-(1,3-benzothiazol-2-yl)-2-oxochromen-7-yl]oxyacetate.
Chemical Property Profile of tert-butyl 2-{[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl]oxy}acetate
Property Insights of tert-butyl 2-{[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl]oxy}acetate
The XLogP value of 4.7902 indicates that tert-butyl 2-{[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-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 tert-butyl 2-{[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl]oxy}acetate. Following Lipinski's Rule of Five, tert-butyl 2-{[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl]oxy}acetate has 0 hydrogen bond donor(s) and 7 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 tert-butyl 2-{[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl]oxy}acetate?
The CAS number of tert-butyl 2-{[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl]oxy}acetate is 315237-67-3.
What is the molecular formula of tert-butyl 2-{[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl]oxy}acetate?
The molecular formula of tert-butyl 2-{[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl]oxy}acetate is C22H19NO5S.
What is the molecular weight of tert-butyl 2-{[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl]oxy}acetate?
The molecular weight of tert-butyl 2-{[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl]oxy}acetate is 409.10 g/mol.
Where can I buy tert-butyl 2-{[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl]oxy}acetate?
You can request a quote for tert-butyl 2-{[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-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 tert-butyl 2-{[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl]oxy}acetate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl 2-{[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl]oxy}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.