RefChem:514039
TL;DR: RefChem:514039 (CAS 477332-99-3) is a chemical compound with molecular formula C20H13ClN4O5S and molecular weight 456.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: 4-(4-Chlorobenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one, (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione, 4-(4-chlorobenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one, 4-(4-chlorobenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)-2,5-dihydro-1H-pyrrol-2-one, 4-[(4-chlorophenyl)carbonyl]-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C20H13ClN4O5S |
|---|---|
| Molecular Weight | 456.03 g/mol |
| LogP | 4.03442 |
| Topological Polar Surface Area | 126.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.0295 |
| Heavy Atoms | 31 |
| Complexity | 1254.466 |
Chemical Identifiers
| CAS Number | 477332-99-3 |
|---|---|
| SMILES | CC1=NN=C(S1)N2C(/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C2=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
RefChem:514039 (CAS 477332-99-3), with molecular formula C20H13ClN4O5S and molecular weight 456.03 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of RefChem:514039
Property Insights of RefChem:514039
The XLogP value of 4.03442 indicates that RefChem:514039 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.53 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:514039. Following Lipinski's Rule of Five, RefChem:514039 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:514039?
The CAS number of RefChem:514039 is 477332-99-3.
What is the molecular formula of RefChem:514039?
The molecular formula of RefChem:514039 is C20H13ClN4O5S.
What is the molecular weight of RefChem:514039?
The molecular weight of RefChem:514039 is 456.03 g/mol.
Where can I buy RefChem:514039?
You can request a quote for RefChem:514039 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:514039?
Yes, KEHONG BIO provides custom synthesis services for RefChem:514039 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.