![[3-(1,3-Benzothiazol-2-yl)-4-oxochromen-7-yl] acetate structure](/static/products/5862/58629-15-5.webp)
[3-(1,3-Benzothiazol-2-yl)-4-oxochromen-7-yl] acetate
TL;DR: [3-(1,3-Benzothiazol-2-yl)-4-oxochromen-7-yl] acetate (CAS 58629-15-5) 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)-4-oxochromen-7-yl] acetate
Also Known As: IFLab1_001241, [3-(1,3-benzothiazol-2-yl)-4-oxochromen-7-yl] acetate, SDCCGSBI-0661439.P001, IDI1_009108, BAS 01057694
| Molecular Formula | C18H11NO4S |
|---|---|
| Molecular Weight | 337.04 g/mol |
| LogP | 3.4 |
| 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 | 58629-15-5 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3 |
| InChIKey | CIRAHSPFEYHGJN-UHFFFAOYSA-N |
Product Overview
[3-(1,3-Benzothiazol-2-yl)-4-oxochromen-7-yl] acetate (CAS 58629-15-5), with molecular formula C18H11NO4S and molecular weight 337.04 g/mol. IUPAC: [3-(1,3-benzothiazol-2-yl)-4-oxochromen-7-yl] acetate.
Chemical Property Profile of [3-(1,3-Benzothiazol-2-yl)-4-oxochromen-7-yl] acetate
Property Insights of [3-(1,3-Benzothiazol-2-yl)-4-oxochromen-7-yl] acetate
The XLogP value of 3.4 indicates that [3-(1,3-Benzothiazol-2-yl)-4-oxochromen-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-(1,3-Benzothiazol-2-yl)-4-oxochromen-7-yl] acetate. Following Lipinski's Rule of Five, [3-(1,3-Benzothiazol-2-yl)-4-oxochromen-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-(1,3-Benzothiazol-2-yl)-4-oxochromen-7-yl] acetate?
The CAS number of [3-(1,3-Benzothiazol-2-yl)-4-oxochromen-7-yl] acetate is 58629-15-5.
What is the molecular formula of [3-(1,3-Benzothiazol-2-yl)-4-oxochromen-7-yl] acetate?
The molecular formula of [3-(1,3-Benzothiazol-2-yl)-4-oxochromen-7-yl] acetate is C18H11NO4S.
What is the molecular weight of [3-(1,3-Benzothiazol-2-yl)-4-oxochromen-7-yl] acetate?
The molecular weight of [3-(1,3-Benzothiazol-2-yl)-4-oxochromen-7-yl] acetate is 337.04 g/mol.
Where can I buy [3-(1,3-Benzothiazol-2-yl)-4-oxochromen-7-yl] acetate?
You can request a quote for [3-(1,3-Benzothiazol-2-yl)-4-oxochromen-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-(1,3-Benzothiazol-2-yl)-4-oxochromen-7-yl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [3-(1,3-Benzothiazol-2-yl)-4-oxochromen-7-yl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.