![1-(6-ETHOXY-1,3-BENZOTHIAZOL-2-YL)-5-[4-(HEXYLOXY)PHENYL]-4-[HYDROXY(PYRIDIN-4-YL)METHYLIDENE]PYRROLIDINE-2,3-DIONE structure](/static/products/7061/7061-35-0.webp)
1-(6-ETHOXY-1,3-BENZOTHIAZOL-2-YL)-5-[4-(HEXYLOXY)PHENYL]-4-[HYDROXY(PYRIDIN-4-YL)METHYLIDENE]PYRROLIDINE-2,3-DIONE
TL;DR: 1-(6-ETHOXY-1,3-BENZOTHIAZOL-2-YL)-5-[4-(HEXYLOXY)PHENYL]-4-[HYDROXY(PYRIDIN-4-YL)METHYLIDENE]PYRROLIDINE-2,3-DIONE (CAS 7061-35-0) is a chemical compound with molecular formula C31H31N3O5S and molecular weight 557.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(4-hexoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione
Also Known As: 1-(6-ETHOXY-1,3-BENZOTHIAZOL-2-YL)-5-[4-(HEXYLOXY)PHENYL]-4-[HYDROXY(PYRIDIN-4-YL)METHYLIDENE]PYRROLIDINE-2,3-DIONE, 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(4-hexoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione
| Molecular Formula | C31H31N3O5S |
|---|---|
| Molecular Weight | 557.20 g/mol |
| LogP | 6.6754 |
| Topological Polar Surface Area | 101.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 557.1984 |
| Heavy Atoms | 40 |
| Complexity | 1531.8793 |
Chemical Identifiers
| CAS Number | 7061-35-0 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C=C1)C2C(=C(C3=CC=NC=C3)O)C(=O)C(=O)N2C4=NC5=C(S4)C=C(C=C5)OCC |
Product Overview
1-(6-ETHOXY-1,3-BENZOTHIAZOL-2-YL)-5-[4-(HEXYLOXY)PHENYL]-4-[HYDROXY(PYRIDIN-4-YL)METHYLIDENE]PYRROLIDINE-2,3-DIONE (CAS 7061-35-0), with molecular formula C31H31N3O5S and molecular weight 557.20 g/mol. IUPAC: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(4-hexoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of 1-(6-ETHOXY-1,3-BENZOTHIAZOL-2-YL)-5-[4-(HEXYLOXY)PHENYL]-4-[HYDROXY(PYRIDIN-4-YL)METHYLIDENE]PYRROLIDINE-2,3-DIONE
Property Insights of 1-(6-ETHOXY-1,3-BENZOTHIAZOL-2-YL)-5-[4-(HEXYLOXY)PHENYL]-4-[HYDROXY(PYRIDIN-4-YL)METHYLIDENE]PYRROLIDINE-2,3-DIONE
The XLogP value of 6.6754 indicates that 1-(6-ETHOXY-1,3-BENZOTHIAZOL-2-YL)-5-[4-(HEXYLOXY)PHENYL]-4-[HYDROXY(PYRIDIN-4-YL)METHYLIDENE]PYRROLIDINE-2,3-DIONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(6-ETHOXY-1,3-BENZOTHIAZOL-2-YL)-5-[4-(HEXYLOXY)PHENYL]-4-[HYDROXY(PYRIDIN-4-YL)METHYLIDENE]PYRROLIDINE-2,3-DIONE. Following Lipinski's Rule of Five, 1-(6-ETHOXY-1,3-BENZOTHIAZOL-2-YL)-5-[4-(HEXYLOXY)PHENYL]-4-[HYDROXY(PYRIDIN-4-YL)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 1-(6-ETHOXY-1,3-BENZOTHIAZOL-2-YL)-5-[4-(HEXYLOXY)PHENYL]-4-[HYDROXY(PYRIDIN-4-YL)METHYLIDENE]PYRROLIDINE-2,3-DIONE?
The CAS number of 1-(6-ETHOXY-1,3-BENZOTHIAZOL-2-YL)-5-[4-(HEXYLOXY)PHENYL]-4-[HYDROXY(PYRIDIN-4-YL)METHYLIDENE]PYRROLIDINE-2,3-DIONE is 7061-35-0.
What is the molecular formula of 1-(6-ETHOXY-1,3-BENZOTHIAZOL-2-YL)-5-[4-(HEXYLOXY)PHENYL]-4-[HYDROXY(PYRIDIN-4-YL)METHYLIDENE]PYRROLIDINE-2,3-DIONE?
The molecular formula of 1-(6-ETHOXY-1,3-BENZOTHIAZOL-2-YL)-5-[4-(HEXYLOXY)PHENYL]-4-[HYDROXY(PYRIDIN-4-YL)METHYLIDENE]PYRROLIDINE-2,3-DIONE is C31H31N3O5S.
What is the molecular weight of 1-(6-ETHOXY-1,3-BENZOTHIAZOL-2-YL)-5-[4-(HEXYLOXY)PHENYL]-4-[HYDROXY(PYRIDIN-4-YL)METHYLIDENE]PYRROLIDINE-2,3-DIONE?
The molecular weight of 1-(6-ETHOXY-1,3-BENZOTHIAZOL-2-YL)-5-[4-(HEXYLOXY)PHENYL]-4-[HYDROXY(PYRIDIN-4-YL)METHYLIDENE]PYRROLIDINE-2,3-DIONE is 557.20 g/mol.
Where can I buy 1-(6-ETHOXY-1,3-BENZOTHIAZOL-2-YL)-5-[4-(HEXYLOXY)PHENYL]-4-[HYDROXY(PYRIDIN-4-YL)METHYLIDENE]PYRROLIDINE-2,3-DIONE?
You can request a quote for 1-(6-ETHOXY-1,3-BENZOTHIAZOL-2-YL)-5-[4-(HEXYLOXY)PHENYL]-4-[HYDROXY(PYRIDIN-4-YL)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 1-(6-ETHOXY-1,3-BENZOTHIAZOL-2-YL)-5-[4-(HEXYLOXY)PHENYL]-4-[HYDROXY(PYRIDIN-4-YL)METHYLIDENE]PYRROLIDINE-2,3-DIONE?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-ETHOXY-1,3-BENZOTHIAZOL-2-YL)-5-[4-(HEXYLOXY)PHENYL]-4-[HYDROXY(PYRIDIN-4-YL)METHYLIDENE]PYRROLIDINE-2,3-DIONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.