3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl acetate
TL;DR: 3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl acetate (CAS 299953-24-5) is a chemical compound with molecular formula C19H13NO4S and molecular weight 351.06 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-methyl-4-oxochromen-7-yl] acetate
Also Known As: IFLab1_001197, BAS 02375329, IDI1_009064, 3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl acetate, AB01310421-01
| Molecular Formula | C19H13NO4S |
|---|---|
| Molecular Weight | 351.06 g/mol |
| LogP | 4.30342 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.05652 |
| Heavy Atoms | 25 |
| Complexity | 1156.1923 |
Chemical Identifiers
| CAS Number | 299953-24-5 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C)C3=NC4=CC=CC=C4S3 |
Product Overview
3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl acetate (CAS 299953-24-5), with molecular formula C19H13NO4S and molecular weight 351.06 g/mol. IUPAC: [3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxochromen-7-yl] acetate.
Chemical Property Profile of 3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl acetate
Property Insights of 3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl acetate
The XLogP value of 4.30342 indicates that 3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl acetate. Following Lipinski's Rule of Five, 3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-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-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl acetate?
The CAS number of 3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl acetate is 299953-24-5.
What is the molecular formula of 3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl acetate?
The molecular formula of 3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl acetate is C19H13NO4S.
What is the molecular weight of 3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl acetate?
The molecular weight of 3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl acetate is 351.06 g/mol.
Where can I buy 3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl acetate?
You can request a quote for 3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-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-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.