BAS 00552819
TL;DR: BAS 00552819 (CAS 296799-75-2) is a chemical compound with molecular formula C19H14N2O7 and molecular weight 382.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzoic acid
Also Known As: BAS 00552819, A0801/0037463, 4-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzoic acid, 4-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid, 4-(3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid
| Molecular Formula | C19H14N2O7 |
|---|---|
| Molecular Weight | 382.08 g/mol |
| LogP | 2.782 |
| Topological Polar Surface Area | 138.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.0801 |
| Heavy Atoms | 28 |
| Complexity | 1023.2526 |
Chemical Identifiers
| CAS Number | 296799-75-2 |
|---|---|
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)C(=O)O)O |
Product Overview
BAS 00552819 (CAS 296799-75-2), with molecular formula C19H14N2O7 and molecular weight 382.08 g/mol. IUPAC: 4-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzoic acid.
Chemical Property Profile of BAS 00552819
Property Insights of BAS 00552819
The XLogP value of 2.782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00552819. The TPSA of 138.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00552819. Following Lipinski's Rule of Five, BAS 00552819 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 00552819?
The CAS number of BAS 00552819 is 296799-75-2.
What is the molecular formula of BAS 00552819?
The molecular formula of BAS 00552819 is C19H14N2O7.
What is the molecular weight of BAS 00552819?
The molecular weight of BAS 00552819 is 382.08 g/mol.
Where can I buy BAS 00552819?
You can request a quote for BAS 00552819 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00552819?
Yes, KEHONG BIO provides custom synthesis services for BAS 00552819 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.