A2101/0088288
TL;DR: A2101/0088288 (CAS 309281-96-7) is a chemical compound with molecular formula C21H18ClNO5 and molecular weight 399.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoate
Also Known As: A2101/0088288, ethyl 4-(3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate, ethyl 4-[3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate, ethyl 4-[3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoate, ethyl 4-[(3Z)-2-(4-chlorophenyl)-3-(1-hydroxyethylidene)-4,5-dioxopyrrolidin-1-yl]benzoate
| Molecular Formula | C21H18ClNO5 |
|---|---|
| Molecular Weight | 399.09 g/mol |
| LogP | 4.0057 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.08734 |
| Heavy Atoms | 28 |
| Complexity | 963.2954 |
Chemical Identifiers
| CAS Number | 309281-96-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(C(=C(C2=O)O)C(=O)C)C3=CC=C(C=C3)Cl |
Product Overview
A2101/0088288 (CAS 309281-96-7), with molecular formula C21H18ClNO5 and molecular weight 399.09 g/mol. IUPAC: ethyl 4-[3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoate.
Chemical Property Profile of A2101/0088288
Property Insights of A2101/0088288
The XLogP value of 4.0057 indicates that A2101/0088288 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.91 Ų falls within the moderate polarity range, balancing permeability and solubility for A2101/0088288. Following Lipinski's Rule of Five, A2101/0088288 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 A2101/0088288?
The CAS number of A2101/0088288 is 309281-96-7.
What is the molecular formula of A2101/0088288?
The molecular formula of A2101/0088288 is C21H18ClNO5.
What is the molecular weight of A2101/0088288?
The molecular weight of A2101/0088288 is 399.09 g/mol.
Where can I buy A2101/0088288?
You can request a quote for A2101/0088288 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2101/0088288?
Yes, KEHONG BIO provides custom synthesis services for A2101/0088288 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.