![1-(6-chlorobenzo[d]thiazol-2-yl)-5-(3-ethoxy-4-(isopentyloxy)phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one structure](/static/products/893/893702-08-4.png)
1-(6-chlorobenzo[d]thiazol-2-yl)-5-(3-ethoxy-4-(isopentyloxy)phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one
TL;DR: 1-(6-chlorobenzo[d]thiazol-2-yl)-5-(3-ethoxy-4-(isopentyloxy)phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one (CAS 893702-08-4) is a chemical compound with molecular formula C34H33ClN2O6S and molecular weight 632.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Also Known As: 1-(6-chlorobenzo[d]thiazol-2-yl)-5-(3-ethoxy-4-(isopentyloxy)phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one, (4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione, (4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
| Molecular Formula | C34H33ClN2O6S |
|---|---|
| Molecular Weight | 632.17 g/mol |
| LogP | 7.723 |
| Topological Polar Surface Area | 98.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 632.1748 |
| Heavy Atoms | 44 |
| Complexity | 1797.8417 |
Chemical Identifiers
| CAS Number | 893702-08-4 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2/C(=C(/C3=CC4=C(C=C3)OC(C4)C)\O)/C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)Cl)OCCC(C)C |
Product Overview
1-(6-chlorobenzo[d]thiazol-2-yl)-5-(3-ethoxy-4-(isopentyloxy)phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one (CAS 893702-08-4), with molecular formula C34H33ClN2O6S and molecular weight 632.17 g/mol. IUPAC: (4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of 1-(6-chlorobenzo[d]thiazol-2-yl)-5-(3-ethoxy-4-(isopentyloxy)phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one
Property Insights of 1-(6-chlorobenzo[d]thiazol-2-yl)-5-(3-ethoxy-4-(isopentyloxy)phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one
The XLogP value of 7.723 indicates that 1-(6-chlorobenzo[d]thiazol-2-yl)-5-(3-ethoxy-4-(isopentyloxy)phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(6-chlorobenzo[d]thiazol-2-yl)-5-(3-ethoxy-4-(isopentyloxy)phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 1-(6-chlorobenzo[d]thiazol-2-yl)-5-(3-ethoxy-4-(isopentyloxy)phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one 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 1-(6-chlorobenzo[d]thiazol-2-yl)-5-(3-ethoxy-4-(isopentyloxy)phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one?
The CAS number of 1-(6-chlorobenzo[d]thiazol-2-yl)-5-(3-ethoxy-4-(isopentyloxy)phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one is 893702-08-4.
What is the molecular formula of 1-(6-chlorobenzo[d]thiazol-2-yl)-5-(3-ethoxy-4-(isopentyloxy)phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 1-(6-chlorobenzo[d]thiazol-2-yl)-5-(3-ethoxy-4-(isopentyloxy)phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one is C34H33ClN2O6S.
What is the molecular weight of 1-(6-chlorobenzo[d]thiazol-2-yl)-5-(3-ethoxy-4-(isopentyloxy)phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 1-(6-chlorobenzo[d]thiazol-2-yl)-5-(3-ethoxy-4-(isopentyloxy)phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one is 632.17 g/mol.
Where can I buy 1-(6-chlorobenzo[d]thiazol-2-yl)-5-(3-ethoxy-4-(isopentyloxy)phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 1-(6-chlorobenzo[d]thiazol-2-yl)-5-(3-ethoxy-4-(isopentyloxy)phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(6-chlorobenzo[d]thiazol-2-yl)-5-(3-ethoxy-4-(isopentyloxy)phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-chlorobenzo[d]thiazol-2-yl)-5-(3-ethoxy-4-(isopentyloxy)phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.