![5-[4-(Benzyloxy)-3-methoxyphenyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione structure](/static/products/7018/7018-12-4.webp)
5-[4-(Benzyloxy)-3-methoxyphenyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
TL;DR: 5-[4-(Benzyloxy)-3-methoxyphenyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione (CAS 7018-12-4) is a chemical compound with molecular formula C33H25FN2O6S and molecular weight 596.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-5-(3-methoxy-4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
Also Known As: 5-[4-(Benzyloxy)-3-methoxyphenyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione, 1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-5-(3-methoxy-4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
| Molecular Formula | C33H25FN2O6S |
|---|---|
| Molecular Weight | 596.14 g/mol |
| LogP | 6.6579 |
| Topological Polar Surface Area | 98.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 596.1417 |
| Heavy Atoms | 43 |
| Complexity | 1887.4529 |
Chemical Identifiers
| CAS Number | 7018-12-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)F)C5=CC(=C(C=C5)OCC6=CC=CC=C6)OC)O |
Product Overview
5-[4-(Benzyloxy)-3-methoxyphenyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione (CAS 7018-12-4), with molecular formula C33H25FN2O6S and molecular weight 596.14 g/mol. IUPAC: 1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-5-(3-methoxy-4-phenylmethoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 5-[4-(Benzyloxy)-3-methoxyphenyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
Property Insights of 5-[4-(Benzyloxy)-3-methoxyphenyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
The XLogP value of 6.6579 indicates that 5-[4-(Benzyloxy)-3-methoxyphenyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione 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 5-[4-(Benzyloxy)-3-methoxyphenyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, 5-[4-(Benzyloxy)-3-methoxyphenyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione 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 5-[4-(Benzyloxy)-3-methoxyphenyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione?
The CAS number of 5-[4-(Benzyloxy)-3-methoxyphenyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione is 7018-12-4.
What is the molecular formula of 5-[4-(Benzyloxy)-3-methoxyphenyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione?
The molecular formula of 5-[4-(Benzyloxy)-3-methoxyphenyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione is C33H25FN2O6S.
What is the molecular weight of 5-[4-(Benzyloxy)-3-methoxyphenyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione?
The molecular weight of 5-[4-(Benzyloxy)-3-methoxyphenyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione is 596.14 g/mol.
Where can I buy 5-[4-(Benzyloxy)-3-methoxyphenyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione?
You can request a quote for 5-[4-(Benzyloxy)-3-methoxyphenyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]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 5-[4-(Benzyloxy)-3-methoxyphenyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-[4-(Benzyloxy)-3-methoxyphenyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.