ChemDiv1_026217
TL;DR: ChemDiv1_026217 (CAS 309725-75-5) is a chemical compound with molecular formula C21H21NO6 and molecular weight 383.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(2,4-dimethoxyphenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-methylpyrrolidine-2,3-dione
Also Known As: ChemDiv1_026217, BAS 01247871, 5-(2,4-dimethoxyphenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-methyl-1H-pyrrol-2(5H)-one, (4E)-5-(2,4-dimethoxyphenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-methylpyrrolidine-2,3-dione
| Molecular Formula | C21H21NO6 |
|---|---|
| Molecular Weight | 383.14 g/mol |
| LogP | 2.7639 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.1369 |
| Heavy Atoms | 28 |
| Complexity | 947.8682 |
Chemical Identifiers
| CAS Number | 309725-75-5 |
|---|---|
| SMILES | CN1C(/C(=C(/C2=CC=C(C=C2)OC)\O)/C(=O)C1=O)C3=C(C=C(C=C3)OC)OC |
Product Overview
ChemDiv1_026217 (CAS 309725-75-5), with molecular formula C21H21NO6 and molecular weight 383.14 g/mol. IUPAC: (4E)-5-(2,4-dimethoxyphenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-methylpyrrolidine-2,3-dione.
Chemical Property Profile of ChemDiv1_026217
Property Insights of ChemDiv1_026217
The XLogP value of 2.7639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_026217. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_026217. Following Lipinski's Rule of Five, ChemDiv1_026217 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 ChemDiv1_026217?
The CAS number of ChemDiv1_026217 is 309725-75-5.
What is the molecular formula of ChemDiv1_026217?
The molecular formula of ChemDiv1_026217 is C21H21NO6.
What is the molecular weight of ChemDiv1_026217?
The molecular weight of ChemDiv1_026217 is 383.14 g/mol.
Where can I buy ChemDiv1_026217?
You can request a quote for ChemDiv1_026217 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_026217?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_026217 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.