A1408/0062957
TL;DR: A1408/0062957 (CAS 311775-20-9) is a chemical compound with molecular formula C25H20N2O7 and molecular weight 460.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(3,4-dimethoxyphenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-phenylpyrrolidine-2,3-dione
Also Known As: A1408/0062957, (4E)-5-(3,4-dimethoxyphenyl)-4-[hydroxy(4-nitrophenyl)methylidene]-1-phenylpyrrolidine-2,3-dione, (4E)-5-(3,4-dimethoxyphenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-phenylpyrrolidine-2,3-dione
| Molecular Formula | C25H20N2O7 |
|---|---|
| Molecular Weight | 460.13 g/mol |
| LogP | 4.2383 |
| Topological Polar Surface Area | 119.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.12704 |
| Heavy Atoms | 34 |
| Complexity | 1300.5992 |
Chemical Identifiers
| CAS Number | 311775-20-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)[N+](=O)[O-])\O)/C(=O)C(=O)N2C4=CC=CC=C4)OC |
Product Overview
A1408/0062957 (CAS 311775-20-9), with molecular formula C25H20N2O7 and molecular weight 460.13 g/mol. IUPAC: (4E)-5-(3,4-dimethoxyphenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-phenylpyrrolidine-2,3-dione.
Chemical Property Profile of A1408/0062957
Property Insights of A1408/0062957
The XLogP value of 4.2383 indicates that A1408/0062957 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.21 Ų falls within the moderate polarity range, balancing permeability and solubility for A1408/0062957. Following Lipinski's Rule of Five, A1408/0062957 has 1 hydrogen bond donor(s) and 7 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 A1408/0062957?
The CAS number of A1408/0062957 is 311775-20-9.
What is the molecular formula of A1408/0062957?
The molecular formula of A1408/0062957 is C25H20N2O7.
What is the molecular weight of A1408/0062957?
The molecular weight of A1408/0062957 is 460.13 g/mol.
Where can I buy A1408/0062957?
You can request a quote for A1408/0062957 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1408/0062957?
Yes, KEHONG BIO provides custom synthesis services for A1408/0062957 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.