ethyl 8-(azaperhydroepinylmethyl)-3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxoc hromene-2-carboxylate
TL;DR: ethyl 8-(azaperhydroepinylmethyl)-3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxoc hromene-2-carboxylate (CAS 385394-74-1) is a chemical compound with molecular formula C28H30N2O5S and molecular weight 506.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate
Also Known As: ethyl 8-(azaperhydroepinylmethyl)-3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxoc hromene-2-carboxylate, ethyl 8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate, ethyl 8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate, ethyl 8-(azepan-1-ylmethyl)-3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate, Ethyl 8-(azepan-1-ylmethyl)-3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxo-chromene-2-carboxylate
| Molecular Formula | C28H30N2O5S |
|---|---|
| Molecular Weight | 506.19 g/mol |
| LogP | 5.8904 |
| Topological Polar Surface Area | 92.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 506.18753 |
| Heavy Atoms | 36 |
| Complexity | 1448.0981 |
Chemical Identifiers
| CAS Number | 385394-74-1 |
|---|---|
| SMILES | CCC1=CC2=C(C(=C1O)CN3CCCCCC3)OC(=C(C2=O)C4=NC5=CC=CC=C5S4)C(=O)OCC |
Product Overview
ethyl 8-(azaperhydroepinylmethyl)-3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxoc hromene-2-carboxylate (CAS 385394-74-1), with molecular formula C28H30N2O5S and molecular weight 506.19 g/mol. IUPAC: ethyl 8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate.
Chemical Property Profile of ethyl 8-(azaperhydroepinylmethyl)-3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxoc hromene-2-carboxylate
Property Insights of ethyl 8-(azaperhydroepinylmethyl)-3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxoc hromene-2-carboxylate
The XLogP value of 5.8904 indicates that ethyl 8-(azaperhydroepinylmethyl)-3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxoc hromene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.87 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 8-(azaperhydroepinylmethyl)-3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxoc hromene-2-carboxylate. Following Lipinski's Rule of Five, ethyl 8-(azaperhydroepinylmethyl)-3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxoc hromene-2-carboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 8-(azaperhydroepinylmethyl)-3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxoc hromene-2-carboxylate?
The CAS number of ethyl 8-(azaperhydroepinylmethyl)-3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxoc hromene-2-carboxylate is 385394-74-1.
What is the molecular formula of ethyl 8-(azaperhydroepinylmethyl)-3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxoc hromene-2-carboxylate?
The molecular formula of ethyl 8-(azaperhydroepinylmethyl)-3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxoc hromene-2-carboxylate is C28H30N2O5S.
What is the molecular weight of ethyl 8-(azaperhydroepinylmethyl)-3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxoc hromene-2-carboxylate?
The molecular weight of ethyl 8-(azaperhydroepinylmethyl)-3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxoc hromene-2-carboxylate is 506.19 g/mol.
Where can I buy ethyl 8-(azaperhydroepinylmethyl)-3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxoc hromene-2-carboxylate?
You can request a quote for ethyl 8-(azaperhydroepinylmethyl)-3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxoc hromene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 8-(azaperhydroepinylmethyl)-3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxoc hromene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 8-(azaperhydroepinylmethyl)-3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxoc hromene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.