A2768/0117330
TL;DR: A2768/0117330 (CAS 431070-29-0) is a chemical compound with molecular formula C20H15ClN2O7 and molecular weight 430.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]propanoic acid
Also Known As: A2768/0117330, 3-[3-(4-chlorobenzoyl)-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid, 3-(3-(4-chlorobenzoyl)-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)propanoic acid, 3-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]propanoic acid, 3-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]propanoic acid
| Molecular Formula | C20H15ClN2O7 |
|---|---|
| Molecular Weight | 430.06 g/mol |
| LogP | 3.1446 |
| Topological Polar Surface Area | 138.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.0568 |
| Heavy Atoms | 30 |
| Complexity | 1078.8175 |
Chemical Identifiers
| CAS Number | 431070-29-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C(=O)N2CCC(=O)O |
Product Overview
A2768/0117330 (CAS 431070-29-0), with molecular formula C20H15ClN2O7 and molecular weight 430.06 g/mol. IUPAC: 3-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]propanoic acid.
Chemical Property Profile of A2768/0117330
Property Insights of A2768/0117330
The XLogP value of 3.1446 indicates that A2768/0117330 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.05 Ų falls within the moderate polarity range, balancing permeability and solubility for A2768/0117330. Following Lipinski's Rule of Five, A2768/0117330 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 A2768/0117330?
The CAS number of A2768/0117330 is 431070-29-0.
What is the molecular formula of A2768/0117330?
The molecular formula of A2768/0117330 is C20H15ClN2O7.
What is the molecular weight of A2768/0117330?
The molecular weight of A2768/0117330 is 430.06 g/mol.
Where can I buy A2768/0117330?
You can request a quote for A2768/0117330 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2768/0117330?
Yes, KEHONG BIO provides custom synthesis services for A2768/0117330 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.