BAS 01029286
TL;DR: BAS 01029286 (CAS 333777-53-0) is a chemical compound with molecular formula C18H13FN2O5 and molecular weight 356.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(2-nitrophenyl)-2H-pyrrol-5-one
Also Known As: BAS 01029286, 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(2-nitrophenyl)-2H-pyrrol-5-one, 4-acetyl-1-(4-fluorophenyl)-3-hydroxy-5-(2-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one, 4-acetyl-1-(4-fluorophenyl)-3-hydroxy-5-(2-nitrophenyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C18H13FN2O5 |
|---|---|
| Molecular Weight | 356.08 g/mol |
| LogP | 3.2229 |
| Topological Polar Surface Area | 100.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.08084 |
| Heavy Atoms | 26 |
| Complexity | 952.3087 |
Chemical Identifiers
| CAS Number | 333777-53-0 |
|---|---|
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)F)O |
Product Overview
BAS 01029286 (CAS 333777-53-0), with molecular formula C18H13FN2O5 and molecular weight 356.08 g/mol. IUPAC: 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(2-nitrophenyl)-2H-pyrrol-5-one.
Chemical Property Profile of BAS 01029286
Property Insights of BAS 01029286
The XLogP value of 3.2229 indicates that BAS 01029286 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 01029286. Following Lipinski's Rule of Five, BAS 01029286 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 01029286?
The CAS number of BAS 01029286 is 333777-53-0.
What is the molecular formula of BAS 01029286?
The molecular formula of BAS 01029286 is C18H13FN2O5.
What is the molecular weight of BAS 01029286?
The molecular weight of BAS 01029286 is 356.08 g/mol.
Where can I buy BAS 01029286?
You can request a quote for BAS 01029286 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01029286?
Yes, KEHONG BIO provides custom synthesis services for BAS 01029286 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.