![(4E)-5-(3-chlorophenyl)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione structure](/static/products/836/836629-74-4.png)
(4E)-5-(3-chlorophenyl)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
TL;DR: (4E)-5-(3-chlorophenyl)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione (CAS 836629-74-4) is a chemical compound with molecular formula C28H22ClN3O4S and molecular weight 531.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(3-chlorophenyl)-4-[hydroxy-[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Also Known As: (4E)-5-(3-chlorophenyl)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione, (4E)-5-(3-chlorophenyl)-4-[hydroxy-[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione, 5-(3-chlorophenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(4-((3-methylbenzyl)oxy)benzoyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C28H22ClN3O4S |
|---|---|
| Molecular Weight | 531.10 g/mol |
| LogP | 6.01364 |
| Topological Polar Surface Area | 92.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 531.1019 |
| Heavy Atoms | 37 |
| Complexity | 1530.4415 |
Chemical Identifiers
| CAS Number | 836629-74-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)COC2=CC=C(C=C2)/C(=C\3/C(N(C(=O)C3=O)C4=NN=C(S4)C)C5=CC(=CC=C5)Cl)/O |
Product Overview
(4E)-5-(3-chlorophenyl)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione (CAS 836629-74-4), with molecular formula C28H22ClN3O4S and molecular weight 531.10 g/mol. IUPAC: (4E)-5-(3-chlorophenyl)-4-[hydroxy-[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione.
Chemical Property Profile of (4E)-5-(3-chlorophenyl)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Property Insights of (4E)-5-(3-chlorophenyl)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
The XLogP value of 6.01364 indicates that (4E)-5-(3-chlorophenyl)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.62 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-5-(3-chlorophenyl)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, (4E)-5-(3-chlorophenyl)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4E)-5-(3-chlorophenyl)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione?
The CAS number of (4E)-5-(3-chlorophenyl)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione is 836629-74-4.
What is the molecular formula of (4E)-5-(3-chlorophenyl)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione?
The molecular formula of (4E)-5-(3-chlorophenyl)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione is C28H22ClN3O4S.
What is the molecular weight of (4E)-5-(3-chlorophenyl)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione?
The molecular weight of (4E)-5-(3-chlorophenyl)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione is 531.10 g/mol.
Where can I buy (4E)-5-(3-chlorophenyl)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione?
You can request a quote for (4E)-5-(3-chlorophenyl)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-1-(5-methyl-1,3,4-thiadiazol-2-yl)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)-5-(3-chlorophenyl)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (4E)-5-(3-chlorophenyl)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.