BAS 00584016
TL;DR: BAS 00584016 (CAS 312502-16-2) is a chemical compound with molecular formula C27H22Cl2N4O2S and molecular weight 536.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl] 3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carboximidothioate
Also Known As: BAS 00584016, A1904/0080008, 1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl 5-(4-chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbimidothioate, [1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl] 3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carboximidothioate, 1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl 5-(4-chlorophenyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazole-1-carbimidothioate
| Molecular Formula | C27H22Cl2N4O2S |
|---|---|
| Molecular Weight | 536.08 g/mol |
| LogP | 6.45299 |
| Topological Polar Surface Area | 76.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 536.08405 |
| Heavy Atoms | 36 |
| Complexity | 1358.0309 |
Chemical Identifiers
| CAS Number | 312502-16-2 |
|---|---|
| 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 |
Product Overview
BAS 00584016 (CAS 312502-16-2), with molecular formula C27H22Cl2N4O2S and molecular weight 536.08 g/mol. IUPAC: [1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl] 3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carboximidothioate.
Chemical Property Profile of BAS 00584016
Property Insights of BAS 00584016
The XLogP value of 6.45299 indicates that BAS 00584016 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 00584016. Following Lipinski's Rule of Five, BAS 00584016 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 00584016?
The CAS number of BAS 00584016 is 312502-16-2.
What is the molecular formula of BAS 00584016?
The molecular formula of BAS 00584016 is C27H22Cl2N4O2S.
What is the molecular weight of BAS 00584016?
The molecular weight of BAS 00584016 is 536.08 g/mol.
Where can I buy BAS 00584016?
You can request a quote for BAS 00584016 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00584016?
Yes, KEHONG BIO provides custom synthesis services for BAS 00584016 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.