AB00104128-01
TL;DR: AB00104128-01 (CAS 425608-50-0) is a chemical compound with molecular formula C20H18N2O5 and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-4-hydroxy-2-(3-nitrophenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
Also Known As: AB00104128-01, 3-acetyl-4-hydroxy-2-(3-nitrophenyl)-1-phenethyl-2H-pyrrol-5-one, 4-acetyl-3-hydroxy-5-(3-nitrophenyl)-1-(2-phenylethyl)-1,5-dihydro-2H-pyrrol-2-one, 3-acetyl-4-hydroxy-2-(3-nitrophenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one, 4-acetyl-3-hydroxy-5-(3-nitrophenyl)-1-phenethyl-1H-pyrrol-2(5H)-one
| Molecular Formula | C20H18N2O5 |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 3.1219 |
| Topological Polar Surface Area | 100.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.12158 |
| Heavy Atoms | 27 |
| Complexity | 936.3981 |
Chemical Identifiers
| CAS Number | 425608-50-0 |
|---|---|
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)[N+](=O)[O-])CCC3=CC=CC=C3)O |
Product Overview
AB00104128-01 (CAS 425608-50-0), with molecular formula C20H18N2O5 and molecular weight 366.12 g/mol. IUPAC: 3-acetyl-4-hydroxy-2-(3-nitrophenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one.
Chemical Property Profile of AB00104128-01
Property Insights of AB00104128-01
The XLogP value of 3.1219 indicates that AB00104128-01 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 AB00104128-01. Following Lipinski's Rule of Five, AB00104128-01 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 AB00104128-01?
The CAS number of AB00104128-01 is 425608-50-0.
What is the molecular formula of AB00104128-01?
The molecular formula of AB00104128-01 is C20H18N2O5.
What is the molecular weight of AB00104128-01?
The molecular weight of AB00104128-01 is 366.12 g/mol.
Where can I buy AB00104128-01?
You can request a quote for AB00104128-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00104128-01?
Yes, KEHONG BIO provides custom synthesis services for AB00104128-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.