BAS 00584022
TL;DR: BAS 00584022 (CAS 314038-45-4) is a chemical compound with molecular formula C28H25ClN4O3S and molecular weight 532.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] 3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carboximidothioate
Also Known As: BAS 00584022, [1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] 3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carboximidothioate, 1-(3-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl 5-(4-chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbimidothioate, 1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl 5-(4-chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbimidothioate, 1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl 5-(4-chlorophenyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazole-1-carbimidothioate
| Molecular Formula | C28H25ClN4O3S |
|---|---|
| Molecular Weight | 532.13 g/mol |
| LogP | 5.80819 |
| Topological Polar Surface Area | 86.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 532.1336 |
| Heavy Atoms | 37 |
| Complexity | 1391.296 |
Chemical Identifiers
| CAS Number | 314038-45-4 |
|---|---|
| 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(=CC=C5)OC |
Product Overview
BAS 00584022 (CAS 314038-45-4), with molecular formula C28H25ClN4O3S and molecular weight 532.13 g/mol. IUPAC: [1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] 3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carboximidothioate.
Chemical Property Profile of BAS 00584022
Property Insights of BAS 00584022
The XLogP value of 5.80819 indicates that BAS 00584022 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.06 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00584022. Following Lipinski's Rule of Five, BAS 00584022 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00584022?
The CAS number of BAS 00584022 is 314038-45-4.
What is the molecular formula of BAS 00584022?
The molecular formula of BAS 00584022 is C28H25ClN4O3S.
What is the molecular weight of BAS 00584022?
The molecular weight of BAS 00584022 is 532.13 g/mol.
Where can I buy BAS 00584022?
You can request a quote for BAS 00584022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00584022?
Yes, KEHONG BIO provides custom synthesis services for BAS 00584022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.