![1-(1,3-Benzothiazol-2-yl)ethyl 3-oxobenzo[f]chromene-2-carboxylate structure](/static/products/4766/476641-42-6.webp)
1-(1,3-Benzothiazol-2-yl)ethyl 3-oxobenzo[f]chromene-2-carboxylate
TL;DR: 1-(1,3-Benzothiazol-2-yl)ethyl 3-oxobenzo[f]chromene-2-carboxylate (CAS 476641-42-6) is a chemical compound with molecular formula C23H15NO4S and molecular weight 401.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzothiazol-2-yl)ethyl 3-oxobenzo[f]chromene-2-carboxylate
Also Known As: 1-(1,3-benzothiazol-2-yl)ethyl 3-oxobenzo[f]chromene-2-carboxylate, 1-(1,3-benzothiazol-2-yl)ethyl 3-oxo-3H-benzo[f]chromene-2-carboxylate, 1-(benzo[d]thiazol-2-yl)ethyl 3-oxo-3H-benzo[f]chromene-2-carboxylate, 1-(1,3-benzothiazol-2-yl)ethyl 2-oxo-1-oxa-2H-phenanthrene-3-carboxylate, 1-(1,3-benzothiazol-2-yl)ethyl 3-oxidanylidenebenzo[f]chromene-2-carboxylate
| Molecular Formula | C23H15NO4S |
|---|---|
| Molecular Weight | 401.07 g/mol |
| LogP | 5.4739 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.07217 |
| Heavy Atoms | 29 |
| Complexity | 1417.0857 |
Chemical Identifiers
| CAS Number | 476641-42-6 |
|---|---|
| SMILES | CC(C1=NC2=CC=CC=C2S1)OC(=O)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O |
Product Overview
1-(1,3-Benzothiazol-2-yl)ethyl 3-oxobenzo[f]chromene-2-carboxylate (CAS 476641-42-6), with molecular formula C23H15NO4S and molecular weight 401.07 g/mol. IUPAC: 1-(1,3-benzothiazol-2-yl)ethyl 3-oxobenzo[f]chromene-2-carboxylate.
Chemical Property Profile of 1-(1,3-Benzothiazol-2-yl)ethyl 3-oxobenzo[f]chromene-2-carboxylate
Property Insights of 1-(1,3-Benzothiazol-2-yl)ethyl 3-oxobenzo[f]chromene-2-carboxylate
The XLogP value of 5.4739 indicates that 1-(1,3-Benzothiazol-2-yl)ethyl 3-oxobenzo[f]chromene-2-carboxylate 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 1-(1,3-Benzothiazol-2-yl)ethyl 3-oxobenzo[f]chromene-2-carboxylate. Following Lipinski's Rule of Five, 1-(1,3-Benzothiazol-2-yl)ethyl 3-oxobenzo[f]chromene-2-carboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(1,3-Benzothiazol-2-yl)ethyl 3-oxobenzo[f]chromene-2-carboxylate?
The CAS number of 1-(1,3-Benzothiazol-2-yl)ethyl 3-oxobenzo[f]chromene-2-carboxylate is 476641-42-6.
What is the molecular formula of 1-(1,3-Benzothiazol-2-yl)ethyl 3-oxobenzo[f]chromene-2-carboxylate?
The molecular formula of 1-(1,3-Benzothiazol-2-yl)ethyl 3-oxobenzo[f]chromene-2-carboxylate is C23H15NO4S.
What is the molecular weight of 1-(1,3-Benzothiazol-2-yl)ethyl 3-oxobenzo[f]chromene-2-carboxylate?
The molecular weight of 1-(1,3-Benzothiazol-2-yl)ethyl 3-oxobenzo[f]chromene-2-carboxylate is 401.07 g/mol.
Where can I buy 1-(1,3-Benzothiazol-2-yl)ethyl 3-oxobenzo[f]chromene-2-carboxylate?
You can request a quote for 1-(1,3-Benzothiazol-2-yl)ethyl 3-oxobenzo[f]chromene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzothiazol-2-yl)ethyl 3-oxobenzo[f]chromene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzothiazol-2-yl)ethyl 3-oxobenzo[f]chromene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.