BAS 00584017
TL;DR: BAS 00584017 (CAS 331760-28-2) is a chemical compound with molecular formula C27H21Cl3N4O2S and molecular weight 570.0451 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl] 3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carboximidothioate
Also Known As: BAS 00584017, [1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl] 3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carboximidothioate, 1-(3,4-dichlorophenyl)-2,5-dioxo-3-pyrrolidinyl 5-(4-chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbimidothioate, 1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl 5-(4-chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbimidothioate, 1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl 5-(4-chlorophenyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazole-1-carbimidothioate
Technical Specifications
| Molecular Formula | C27H21Cl3N4O2S |
| Molecular Weight | 570.0451 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 570.0451 Da |
| Heavy Atoms | 37 |
| Complexity | 919.0 |
| SMILES | CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)Cl)C(=N)SC4CC(=O)N(C4=O)C5=CC(=C(C=C5)Cl)Cl |
| InChIKey | DJDCIPPRHOOKPB-UHFFFAOYSA-N |
Chemical Property Profile of BAS 00584017
Property Insights of BAS 00584017
The XLogP value of 6.6 indicates that BAS 00584017 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00584017. Following Lipinski's Rule of Five, BAS 00584017 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of BAS 00584017?
The CAS number of BAS 00584017 is 331760-28-2.
What is the molecular formula of BAS 00584017?
The molecular formula of BAS 00584017 is C27H21Cl3N4O2S.
What is the molecular weight of BAS 00584017?
The molecular weight of BAS 00584017 is 570.0451 g/mol.
Where can I buy BAS 00584017?
You can request a quote for BAS 00584017 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00584017?
Yes, CoreyChem provides custom synthesis services for BAS 00584017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.