Ethyl 2-(3-benzothiazol-2-yl-6-ethyl-2-methyl-4-oxochromen-7-yloxy)acetate
TL;DR: Ethyl 2-(3-benzothiazol-2-yl-6-ethyl-2-methyl-4-oxochromen-7-yloxy)acetate (CAS 301682-49-5) is a chemical compound with molecular formula C23H21NO5S and molecular weight 423.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl]oxyacetate
Also Known As: ChemDiv3_002022, IDI1_020988, AE-641/11950290, ethyl 2-(3-benzothiazol-2-yl-6-ethyl-2-methyl-4-oxochromen-7-yloxy)acetate, F0308-0940
| Molecular Formula | C23H21NO5S |
|---|---|
| Molecular Weight | 423.11 g/mol |
| LogP | 4.88242 |
| Topological Polar Surface Area | 78.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.11404 |
| Heavy Atoms | 30 |
| Complexity | 1271.4319 |
Chemical Identifiers
| CAS Number | 301682-49-5 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1OCC(=O)OCC)OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C |
Product Overview
Ethyl 2-(3-benzothiazol-2-yl-6-ethyl-2-methyl-4-oxochromen-7-yloxy)acetate (CAS 301682-49-5), with molecular formula C23H21NO5S and molecular weight 423.11 g/mol. IUPAC: ethyl 2-[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl]oxyacetate.
Chemical Property Profile of Ethyl 2-(3-benzothiazol-2-yl-6-ethyl-2-methyl-4-oxochromen-7-yloxy)acetate
Property Insights of Ethyl 2-(3-benzothiazol-2-yl-6-ethyl-2-methyl-4-oxochromen-7-yloxy)acetate
The XLogP value of 4.88242 indicates that Ethyl 2-(3-benzothiazol-2-yl-6-ethyl-2-methyl-4-oxochromen-7-yloxy)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 Ethyl 2-(3-benzothiazol-2-yl-6-ethyl-2-methyl-4-oxochromen-7-yloxy)acetate. Following Lipinski's Rule of Five, Ethyl 2-(3-benzothiazol-2-yl-6-ethyl-2-methyl-4-oxochromen-7-yloxy)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 Ethyl 2-(3-benzothiazol-2-yl-6-ethyl-2-methyl-4-oxochromen-7-yloxy)acetate?
The CAS number of Ethyl 2-(3-benzothiazol-2-yl-6-ethyl-2-methyl-4-oxochromen-7-yloxy)acetate is 301682-49-5.
What is the molecular formula of Ethyl 2-(3-benzothiazol-2-yl-6-ethyl-2-methyl-4-oxochromen-7-yloxy)acetate?
The molecular formula of Ethyl 2-(3-benzothiazol-2-yl-6-ethyl-2-methyl-4-oxochromen-7-yloxy)acetate is C23H21NO5S.
What is the molecular weight of Ethyl 2-(3-benzothiazol-2-yl-6-ethyl-2-methyl-4-oxochromen-7-yloxy)acetate?
The molecular weight of Ethyl 2-(3-benzothiazol-2-yl-6-ethyl-2-methyl-4-oxochromen-7-yloxy)acetate is 423.11 g/mol.
Where can I buy Ethyl 2-(3-benzothiazol-2-yl-6-ethyl-2-methyl-4-oxochromen-7-yloxy)acetate?
You can request a quote for Ethyl 2-(3-benzothiazol-2-yl-6-ethyl-2-methyl-4-oxochromen-7-yloxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3-benzothiazol-2-yl-6-ethyl-2-methyl-4-oxochromen-7-yloxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-benzothiazol-2-yl-6-ethyl-2-methyl-4-oxochromen-7-yloxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.