BAS 00732825
TL;DR: BAS 00732825 (CAS 332149-12-9) is a chemical compound with molecular formula C18H13BrN2O5 and molecular weight 416.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-1-methyl-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: BAS 00732825, 4-(4-Bromo-benzoyl)-3-hydroxy-1-methyl-5-(3-nitro-phenyl)-1,5-dihydro-pyrrol-2-one, 4-(4-bromobenzoyl)-3-hydroxy-1-methyl-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one, 4-[(4-bromophenyl)carbonyl]-3-hydroxy-1-methyl-5-(3-nitrophenyl)-3-pyrrolin-2- one, (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-1-methyl-5-(3-nitrophenyl)pyrrolidine-2,3-dione
| Molecular Formula | C18H13BrN2O5 |
|---|---|
| Molecular Weight | 416.00 g/mol |
| LogP | 3.4088 |
| Topological Polar Surface Area | 100.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.0008 |
| Heavy Atoms | 26 |
| Complexity | 952.3087 |
Chemical Identifiers
| CAS Number | 332149-12-9 |
|---|---|
| SMILES | CN1C(/C(=C(/C2=CC=C(C=C2)Br)\O)/C(=O)C1=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
BAS 00732825 (CAS 332149-12-9), with molecular formula C18H13BrN2O5 and molecular weight 416.00 g/mol. IUPAC: (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-1-methyl-5-(3-nitrophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of BAS 00732825
Property Insights of BAS 00732825
The XLogP value of 3.4088 indicates that BAS 00732825 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 00732825. Following Lipinski's Rule of Five, BAS 00732825 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00732825?
The CAS number of BAS 00732825 is 332149-12-9.
What is the molecular formula of BAS 00732825?
The molecular formula of BAS 00732825 is C18H13BrN2O5.
What is the molecular weight of BAS 00732825?
The molecular weight of BAS 00732825 is 416.00 g/mol.
Where can I buy BAS 00732825?
You can request a quote for BAS 00732825 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00732825?
Yes, KEHONG BIO provides custom synthesis services for BAS 00732825 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.