![5-(4-(benzyloxy)-3-methoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one structure](/static/products/618/618857-08-2.png)
5-(4-(benzyloxy)-3-methoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one
TL;DR: 5-(4-(benzyloxy)-3-methoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one (CAS 618857-08-2) is a chemical compound with molecular formula C35H28N2O8S and molecular weight 636.16 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-phenylmethoxyphenyl)pyrrolidine-2,3-dione
Also Known As: 5-(4-(benzyloxy)-3-methoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-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-phenylmethoxyphenyl)pyrrolidine-2,3-dione, (4E)-5-[4-(benzyloxy)-3-methoxyphenyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
| Molecular Formula | C35H28N2O8S |
|---|---|
| Molecular Weight | 636.16 g/mol |
| LogP | 6.29 |
| Topological Polar Surface Area | 116.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 636.1566 |
| Heavy Atoms | 46 |
| Complexity | 2005.0159 |
Chemical Identifiers
| CAS Number | 618857-08-2 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N=C(S2)N3C(/C(=C(/C4=CC5=C(C=C4)OCCO5)\O)/C(=O)C3=O)C6=CC(=C(C=C6)OCC7=CC=CC=C7)OC |
Product Overview
5-(4-(benzyloxy)-3-methoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one (CAS 618857-08-2), with molecular formula C35H28N2O8S and molecular weight 636.16 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-phenylmethoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 5-(4-(benzyloxy)-3-methoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one
Property Insights of 5-(4-(benzyloxy)-3-methoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one
The XLogP value of 6.29 indicates that 5-(4-(benzyloxy)-3-methoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-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 5-(4-(benzyloxy)-3-methoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 5-(4-(benzyloxy)-3-methoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-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 5-(4-(benzyloxy)-3-methoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one?
The CAS number of 5-(4-(benzyloxy)-3-methoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one is 618857-08-2.
What is the molecular formula of 5-(4-(benzyloxy)-3-methoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one?
The molecular formula of 5-(4-(benzyloxy)-3-methoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one is C35H28N2O8S.
What is the molecular weight of 5-(4-(benzyloxy)-3-methoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one?
The molecular weight of 5-(4-(benzyloxy)-3-methoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one is 636.16 g/mol.
Where can I buy 5-(4-(benzyloxy)-3-methoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one?
You can request a quote for 5-(4-(benzyloxy)-3-methoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-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 5-(4-(benzyloxy)-3-methoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-1-(6-methoxybenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-(benzyloxy)-3-methoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-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.