RefChem:514040
TL;DR: RefChem:514040 (CAS 477333-34-9) is a chemical compound with molecular formula C25H17ClN2O4S and molecular weight 476.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-phenylpyrrolidine-2,3-dione
Also Known As: 4-(4-Chlorobenzoyl)-3-hydroxy-1-(6-methoxybenzo[d]thiazol-2-yl)-5-phenyl-1H-pyrrol-2(5H)-one, (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-phenylpyrrolidine-2,3-dione, (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-phenylpyrrolidine-2,3-dione, 4-(4-chlorobenzoyl)-3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one, 4-(4-CHLOROBENZOYL)-3-HYDROXY-1-(6-METHOXY-1,3-BENZOTHIAZOL-2-YL)-5-PHENYL-2,5-DIHYDRO-1H-PYRROL-2-ONE
| Molecular Formula | C25H17ClN2O4S |
|---|---|
| Molecular Weight | 476.06 g/mol |
| LogP | 5.5846 |
| Topological Polar Surface Area | 79.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 476.05975 |
| Heavy Atoms | 33 |
| Complexity | 1413.6383 |
Chemical Identifiers
| CAS Number | 477333-34-9 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N=C(S2)N3C(/C(=C(/C4=CC=C(C=C4)Cl)\O)/C(=O)C3=O)C5=CC=CC=C5 |
Product Overview
RefChem:514040 (CAS 477333-34-9), with molecular formula C25H17ClN2O4S and molecular weight 476.06 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-phenylpyrrolidine-2,3-dione.
Chemical Property Profile of RefChem:514040
Property Insights of RefChem:514040
The XLogP value of 5.5846 indicates that RefChem:514040 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.73 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:514040. Following Lipinski's Rule of Five, RefChem:514040 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:514040?
The CAS number of RefChem:514040 is 477333-34-9.
What is the molecular formula of RefChem:514040?
The molecular formula of RefChem:514040 is C25H17ClN2O4S.
What is the molecular weight of RefChem:514040?
The molecular weight of RefChem:514040 is 476.06 g/mol.
Where can I buy RefChem:514040?
You can request a quote for RefChem:514040 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:514040?
Yes, KEHONG BIO provides custom synthesis services for RefChem:514040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.