BAS 00584013
TL;DR: BAS 00584013 (CAS 331760-25-9) is a chemical compound with molecular formula C27H22BrClN4O2S and molecular weight 580.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl] 3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carboximidothioate
Also Known As: BAS 00584013, 1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl 5-(4-chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbimidothioate, [1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl] 3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carboximidothioate, 1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl 5-(4-chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbimidothioate, 1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl 5-(4-chlorophenyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazole-1-carbimidothioate
| Molecular Formula | C27H22BrClN4O2S |
|---|---|
| Molecular Weight | 580.03 g/mol |
| LogP | 6.56209 |
| Topological Polar Surface Area | 76.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 580.03357 |
| Heavy Atoms | 36 |
| Complexity | 1360.0309 |
Chemical Identifiers
| CAS Number | 331760-25-9 |
|---|---|
| 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)Br |
Product Overview
BAS 00584013 (CAS 331760-25-9), with molecular formula C27H22BrClN4O2S and molecular weight 580.03 g/mol. IUPAC: [1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl] 3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carboximidothioate.
Chemical Property Profile of BAS 00584013
Property Insights of BAS 00584013
The XLogP value of 6.56209 indicates that BAS 00584013 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.83 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00584013. Following Lipinski's Rule of Five, BAS 00584013 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00584013?
The CAS number of BAS 00584013 is 331760-25-9.
What is the molecular formula of BAS 00584013?
The molecular formula of BAS 00584013 is C27H22BrClN4O2S.
What is the molecular weight of BAS 00584013?
The molecular weight of BAS 00584013 is 580.03 g/mol.
Where can I buy BAS 00584013?
You can request a quote for BAS 00584013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00584013?
Yes, KEHONG BIO provides custom synthesis services for BAS 00584013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.