![4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-methoxy-4-(pentyloxy)phenyl)-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one structure](/static/products/618/618856-82-9.png)
4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-methoxy-4-(pentyloxy)phenyl)-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one
TL;DR: 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-methoxy-4-(pentyloxy)phenyl)-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one (CAS 618856-82-9) is a chemical compound with molecular formula C33H32N2O8S and molecular weight 616.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3-methoxy-4-pentoxyphenyl)pyrrolidine-2,3-dione
Also Known As: 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-methoxy-4-(pentyloxy)phenyl)-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one, (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3-methoxy-4-pentoxyphenyl)pyrrolidine-2,3-dione, (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-[3-methoxy-4-(pentyloxy)phenyl]pyrrolidine-2,3-dione
| Molecular Formula | C33H32N2O8S |
|---|---|
| Molecular Weight | 616.19 g/mol |
| LogP | 6.28 |
| Topological Polar Surface Area | 116.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 616.1879 |
| Heavy Atoms | 44 |
| Complexity | 1764.0222 |
Chemical Identifiers
| CAS Number | 618856-82-9 |
|---|---|
| SMILES | CCCCCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)OC)OC |
Product Overview
4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-methoxy-4-(pentyloxy)phenyl)-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one (CAS 618856-82-9), with molecular formula C33H32N2O8S and molecular weight 616.19 g/mol. IUPAC: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3-methoxy-4-pentoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-methoxy-4-(pentyloxy)phenyl)-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one
Property Insights of 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-methoxy-4-(pentyloxy)phenyl)-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one
The XLogP value of 6.28 indicates that 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-methoxy-4-(pentyloxy)phenyl)-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-methoxy-4-(pentyloxy)phenyl)-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-methoxy-4-(pentyloxy)phenyl)-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-methoxy-4-(pentyloxy)phenyl)-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one?
The CAS number of 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-methoxy-4-(pentyloxy)phenyl)-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one is 618856-82-9.
What is the molecular formula of 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-methoxy-4-(pentyloxy)phenyl)-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one?
The molecular formula of 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-methoxy-4-(pentyloxy)phenyl)-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one is C33H32N2O8S.
What is the molecular weight of 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-methoxy-4-(pentyloxy)phenyl)-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one?
The molecular weight of 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-methoxy-4-(pentyloxy)phenyl)-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one is 616.19 g/mol.
Where can I buy 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-methoxy-4-(pentyloxy)phenyl)-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one?
You can request a quote for 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-methoxy-4-(pentyloxy)phenyl)-1-(6-methoxybenzo[d]thiazol-2-yl)-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 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-methoxy-4-(pentyloxy)phenyl)-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-methoxy-4-(pentyloxy)phenyl)-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.