A2972/0125240
TL;DR: A2972/0125240 (CAS 680995-04-4) is a chemical compound with molecular formula C27H26N2O5 and molecular weight 458.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[hydroxy-(4-methylphenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
Also Known As: A2972/0125240, (4E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[hydroxy-(4-methylphenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione, 1-(3,4-dimethoxyphenethyl)-3-hydroxy-4-(4-methylbenzoyl)-5-(pyridin-3-yl)-1H-pyrrol-2(5H)-one, 1-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-3-HYDROXY-4-(4-METHYLBENZOYL)-5-(PYRIDIN-3-YL)-2,5-DIHYDRO-1H-PYRROL-2-ONE
| Molecular Formula | C27H26N2O5 |
|---|---|
| Molecular Weight | 458.18 g/mol |
| LogP | 4.07162 |
| Topological Polar Surface Area | 88.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.18417 |
| Heavy Atoms | 34 |
| Complexity | 1235.6351 |
Chemical Identifiers
| CAS Number | 680995-04-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCC3=CC(=C(C=C3)OC)OC)C4=CN=CC=C4)/O |
Product Overview
A2972/0125240 (CAS 680995-04-4), with molecular formula C27H26N2O5 and molecular weight 458.18 g/mol. IUPAC: (4E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[hydroxy-(4-methylphenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione.
Chemical Property Profile of A2972/0125240
Property Insights of A2972/0125240
The XLogP value of 4.07162 indicates that A2972/0125240 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.96 Ų falls within the moderate polarity range, balancing permeability and solubility for A2972/0125240. Following Lipinski's Rule of Five, A2972/0125240 has 1 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 A2972/0125240?
The CAS number of A2972/0125240 is 680995-04-4.
What is the molecular formula of A2972/0125240?
The molecular formula of A2972/0125240 is C27H26N2O5.
What is the molecular weight of A2972/0125240?
The molecular weight of A2972/0125240 is 458.18 g/mol.
Where can I buy A2972/0125240?
You can request a quote for A2972/0125240 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2972/0125240?
Yes, KEHONG BIO provides custom synthesis services for A2972/0125240 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.