BAS 01403212
TL;DR: BAS 01403212 (CAS 5957-30-2) is a chemical compound with molecular formula C22H14ClN3O5 and molecular weight 435.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-nitrophenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione
Also Known As: BAS 01403212, BIM-0038734.P001, (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-nitrophenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione, 4-(4-chlorobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1-(3-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C22H14ClN3O5 |
|---|---|
| Molecular Weight | 435.06 g/mol |
| LogP | 4.2695 |
| Topological Polar Surface Area | 113.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.0622 |
| Heavy Atoms | 31 |
| Complexity | 1225.4084 |
Chemical Identifiers
| CAS Number | 5957-30-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C(=O)N2C4=CN=CC=C4 |
Product Overview
BAS 01403212 (CAS 5957-30-2), with molecular formula C22H14ClN3O5 and molecular weight 435.06 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-nitrophenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione.
Chemical Property Profile of BAS 01403212
Property Insights of BAS 01403212
The XLogP value of 4.2695 indicates that BAS 01403212 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.64 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01403212. Following Lipinski's Rule of Five, BAS 01403212 has 1 hydrogen bond donor(s) and 6 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 01403212?
The CAS number of BAS 01403212 is 5957-30-2.
What is the molecular formula of BAS 01403212?
The molecular formula of BAS 01403212 is C22H14ClN3O5.
What is the molecular weight of BAS 01403212?
The molecular weight of BAS 01403212 is 435.06 g/mol.
Where can I buy BAS 01403212?
You can request a quote for BAS 01403212 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01403212?
Yes, KEHONG BIO provides custom synthesis services for BAS 01403212 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.