BAS 01157098
TL;DR: BAS 01157098 (CAS 332125-52-7) is a chemical compound with molecular formula C23H14ClFN2O5 and molecular weight 452.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(4-fluorophenyl)-5-(2-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: BAS 01157098, 4-(4-chlorobenzoyl)-1-(4-fluorophenyl)-3-hydroxy-5-(2-nitrophenyl)-1H-pyrrol-2(5H)-one, (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(4-fluorophenyl)-5-(2-nitrophenyl)pyrrolidine-2,3-dione, (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(4-fluorophenyl)-5-(2-nitrophenyl)pyrrolidine-2,3-dione
| Molecular Formula | C23H14ClFN2O5 |
|---|---|
| Molecular Weight | 452.06 g/mol |
| LogP | 5.0136 |
| Topological Polar Surface Area | 100.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.05753 |
| Heavy Atoms | 32 |
| Complexity | 1272.3041 |
Chemical Identifiers
| CAS Number | 332125-52-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C(=O)N2C4=CC=C(C=C4)F)[N+](=O)[O-] |
Product Overview
BAS 01157098 (CAS 332125-52-7), with molecular formula C23H14ClFN2O5 and molecular weight 452.06 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(4-fluorophenyl)-5-(2-nitrophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of BAS 01157098
Property Insights of BAS 01157098
The XLogP value of 5.0136 indicates that BAS 01157098 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.75 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01157098. Following Lipinski's Rule of Five, BAS 01157098 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 01157098?
The CAS number of BAS 01157098 is 332125-52-7.
What is the molecular formula of BAS 01157098?
The molecular formula of BAS 01157098 is C23H14ClFN2O5.
What is the molecular weight of BAS 01157098?
The molecular weight of BAS 01157098 is 452.06 g/mol.
Where can I buy BAS 01157098?
You can request a quote for BAS 01157098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01157098?
Yes, KEHONG BIO provides custom synthesis services for BAS 01157098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.