AF-399/41987033
TL;DR: AF-399/41987033 (CAS 618404-24-3) is a chemical compound with molecular formula C25H28N2O7 and molecular weight 468.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(2,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]pyrrolidine-2,3-dione
Also Known As: AF-399/41987033, (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(2,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]pyrrolidine-2,3-dione, 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-5-(2,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one, (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(2,5-dimethoxyphenyl)-1-(2-dimethylaminoethyl)pyrrolidine-2,3-dione, 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-5-(2,5-dimethoxyphenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one
| Molecular Formula | C25H28N2O7 |
|---|---|
| Molecular Weight | 468.19 g/mol |
| LogP | 2.4583 |
| Topological Polar Surface Area | 97.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 468.18964 |
| Heavy Atoms | 34 |
| Complexity | 1142.0792 |
Chemical Identifiers
| CAS Number | 618404-24-3 |
|---|---|
| SMILES | CN(C)CCN1C(/C(=C(/C2=CC3=C(C=C2)OCCO3)\O)/C(=O)C1=O)C4=C(C=CC(=C4)OC)OC |
Product Overview
AF-399/41987033 (CAS 618404-24-3), with molecular formula C25H28N2O7 and molecular weight 468.19 g/mol. IUPAC: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(2,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]pyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/41987033
Property Insights of AF-399/41987033
The XLogP value of 2.4583 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/41987033. The TPSA of 97.77 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41987033. Following Lipinski's Rule of Five, AF-399/41987033 has 1 hydrogen bond donor(s) and 8 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 AF-399/41987033?
The CAS number of AF-399/41987033 is 618404-24-3.
What is the molecular formula of AF-399/41987033?
The molecular formula of AF-399/41987033 is C25H28N2O7.
What is the molecular weight of AF-399/41987033?
The molecular weight of AF-399/41987033 is 468.19 g/mol.
Where can I buy AF-399/41987033?
You can request a quote for AF-399/41987033 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41987033?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41987033 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.