AT-057/43467989
TL;DR: AT-057/43467989 (CAS 425619-18-7) is a chemical compound with molecular formula C20H18N2O7 and molecular weight 398.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-1-(2-hydroxyethyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(2-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: AT-057/43467989, (4Z)-1-(2-hydroxyethyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(2-nitrophenyl)pyrrolidine-2,3-dione, 3-hydroxy-1-(2-hydroxyethyl)-4-(4-methoxybenzoyl)-5-(2-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one, 3-hydroxy-1-(2-hydroxyethyl)-4-(4-methoxybenzoyl)-5-(2-nitrophenyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C20H18N2O7 |
|---|---|
| Molecular Weight | 398.11 g/mol |
| LogP | 2.0174 |
| Topological Polar Surface Area | 130.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.1114 |
| Heavy Atoms | 29 |
| Complexity | 998.1442 |
Chemical Identifiers
| CAS Number | 425619-18-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCO)C3=CC=CC=C3[N+](=O)[O-])/O |
Product Overview
AT-057/43467989 (CAS 425619-18-7), with molecular formula C20H18N2O7 and molecular weight 398.11 g/mol. IUPAC: (4Z)-1-(2-hydroxyethyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(2-nitrophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AT-057/43467989
Property Insights of AT-057/43467989
The XLogP value of 2.0174 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AT-057/43467989. The TPSA of 130.21 Ų falls within the moderate polarity range, balancing permeability and solubility for AT-057/43467989. Following Lipinski's Rule of Five, AT-057/43467989 has 2 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 AT-057/43467989?
The CAS number of AT-057/43467989 is 425619-18-7.
What is the molecular formula of AT-057/43467989?
The molecular formula of AT-057/43467989 is C20H18N2O7.
What is the molecular weight of AT-057/43467989?
The molecular weight of AT-057/43467989 is 398.11 g/mol.
Where can I buy AT-057/43467989?
You can request a quote for AT-057/43467989 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AT-057/43467989?
Yes, KEHONG BIO provides custom synthesis services for AT-057/43467989 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.