![3-(benzo[d]thiazol-2-yl)-2-oxo-2H-chromen-7-yl acetate structure](/static/products/970/97004-81-4.png)
3-(benzo[d]thiazol-2-yl)-2-oxo-2H-chromen-7-yl acetate
TL;DR: 3-(benzo[d]thiazol-2-yl)-2-oxo-2H-chromen-7-yl acetate (CAS 97004-81-4) is a chemical compound with molecular formula C18H11NO4S and molecular weight 337.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(1,3-benzothiazol-2-yl)-2-oxochromen-7-yl] acetate
Also Known As: IFLab1_001329, 3-(benzo[d]thiazol-2-yl)-2-oxo-2H-chromen-7-yl acetate, 7-acetoxy-3-(2-benzothiazolyl)coumarin, IDI1_009196, [3-(1,3-benzothiazol-2-yl)-2-oxochromen-7-yl] acetate
| Molecular Formula | C18H11NO4S |
|---|---|
| Molecular Weight | 337.04 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.0409 |
| Heavy Atoms | 24 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 97004-81-4 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4S3 |
| InChIKey | GMHZSJKERJATQD-UHFFFAOYSA-N |
Product Overview
3-(benzo[d]thiazol-2-yl)-2-oxo-2H-chromen-7-yl acetate (CAS 97004-81-4), with molecular formula C18H11NO4S and molecular weight 337.04 g/mol. IUPAC: [3-(1,3-benzothiazol-2-yl)-2-oxochromen-7-yl] acetate.
Chemical Property Profile of 3-(benzo[d]thiazol-2-yl)-2-oxo-2H-chromen-7-yl acetate
Property Insights of 3-(benzo[d]thiazol-2-yl)-2-oxo-2H-chromen-7-yl acetate
The XLogP value of 3.8 indicates that 3-(benzo[d]thiazol-2-yl)-2-oxo-2H-chromen-7-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(benzo[d]thiazol-2-yl)-2-oxo-2H-chromen-7-yl acetate. Following Lipinski's Rule of Five, 3-(benzo[d]thiazol-2-yl)-2-oxo-2H-chromen-7-yl acetate has 0 hydrogen bond donor(s) and 6 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 3-(benzo[d]thiazol-2-yl)-2-oxo-2H-chromen-7-yl acetate?
The CAS number of 3-(benzo[d]thiazol-2-yl)-2-oxo-2H-chromen-7-yl acetate is 97004-81-4.
What is the molecular formula of 3-(benzo[d]thiazol-2-yl)-2-oxo-2H-chromen-7-yl acetate?
The molecular formula of 3-(benzo[d]thiazol-2-yl)-2-oxo-2H-chromen-7-yl acetate is C18H11NO4S.
What is the molecular weight of 3-(benzo[d]thiazol-2-yl)-2-oxo-2H-chromen-7-yl acetate?
The molecular weight of 3-(benzo[d]thiazol-2-yl)-2-oxo-2H-chromen-7-yl acetate is 337.04 g/mol.
Where can I buy 3-(benzo[d]thiazol-2-yl)-2-oxo-2H-chromen-7-yl acetate?
You can request a quote for 3-(benzo[d]thiazol-2-yl)-2-oxo-2H-chromen-7-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(benzo[d]thiazol-2-yl)-2-oxo-2H-chromen-7-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzo[d]thiazol-2-yl)-2-oxo-2H-chromen-7-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.