BAS 01029196
TL;DR: BAS 01029196 (CAS 333777-01-8) is a chemical compound with molecular formula C18H14N2O6 and molecular weight 354.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one
Also Known As: BAS 01029196, 3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one, 4-Acetyl-3-hydroxy-1-(4-hydroxy-phenyl)-5-(3-nitro-phenyl)-1,5-dihydro-pyrrol-2-one, 4-acetyl-3-hydroxy-1-(4-hydroxyphenyl)-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one, 4-acetyl-3-hydroxy-1-(4-hydroxyphenyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C18H14N2O6 |
|---|---|
| Molecular Weight | 354.09 g/mol |
| LogP | 2.7894 |
| Topological Polar Surface Area | 120.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.08517 |
| Heavy Atoms | 26 |
| Complexity | 948.4086 |
Chemical Identifiers
| CAS Number | 333777-01-8 |
|---|---|
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)O)O |
Product Overview
BAS 01029196 (CAS 333777-01-8), with molecular formula C18H14N2O6 and molecular weight 354.09 g/mol. IUPAC: 3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one.
Chemical Property Profile of BAS 01029196
Property Insights of BAS 01029196
The XLogP value of 2.7894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01029196. The TPSA of 120.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01029196. Following Lipinski's Rule of Five, BAS 01029196 has 2 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 01029196?
The CAS number of BAS 01029196 is 333777-01-8.
What is the molecular formula of BAS 01029196?
The molecular formula of BAS 01029196 is C18H14N2O6.
What is the molecular weight of BAS 01029196?
The molecular weight of BAS 01029196 is 354.09 g/mol.
Where can I buy BAS 01029196?
You can request a quote for BAS 01029196 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01029196?
Yes, KEHONG BIO provides custom synthesis services for BAS 01029196 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.