![(4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione structure](/static/products/514/514186-82-4.png)
(4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
TL;DR: (4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione (CAS 514186-82-4) is a chemical compound with molecular formula C29H26N2O7S and molecular weight 546.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
Also Known As: (4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione, (4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione, 3-hydroxy-1-(6-methoxybenzo[d]thiazol-2-yl)-4-(4-methylbenzoyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2(5H)-one, 3-hydroxy-1-(6-methoxybenzothiazol-2-yl)-4-[(4-methylphenyl)carbonyl]-5-(3,4,5 -trimethoxyphenyl)-3-pyrrolin-2-one
| Molecular Formula | C29H26N2O7S |
|---|---|
| Molecular Weight | 546.15 g/mol |
| LogP | 5.26542 |
| Topological Polar Surface Area | 107.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 546.14606 |
| Heavy Atoms | 39 |
| Complexity | 1599.6538 |
Chemical Identifiers
| CAS Number | 514186-82-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)OC)C5=CC(=C(C(=C5)OC)OC)OC)/O |
Product Overview
(4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione (CAS 514186-82-4), with molecular formula C29H26N2O7S and molecular weight 546.15 g/mol. IUPAC: (4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of (4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
Property Insights of (4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
The XLogP value of 5.26542 indicates that (4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.42 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, (4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione?
The CAS number of (4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione is 514186-82-4.
What is the molecular formula of (4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione?
The molecular formula of (4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione is C29H26N2O7S.
What is the molecular weight of (4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione?
The molecular weight of (4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione is 546.15 g/mol.
Where can I buy (4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione?
You can request a quote for (4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.