AF-399/42124333
TL;DR: AF-399/42124333 (CAS 620567-63-7) is a chemical compound with molecular formula C25H23N3O6 and molecular weight 461.16 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-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
Also Known As: AF-399/42124333, (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione, 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-[3-(1H-imidazol-1-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one, 1-(3-(1H-imidazol-1-yl)propyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(4-hydroxyphenyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C25H23N3O6 |
|---|---|
| Molecular Weight | 461.16 g/mol |
| LogP | 2.8719 |
| Topological Polar Surface Area | 114.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.1587 |
| Heavy Atoms | 34 |
| Complexity | 1250.1652 |
Chemical Identifiers
| CAS Number | 620567-63-7 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC=C(C=C5)O)/O |
Product Overview
AF-399/42124333 (CAS 620567-63-7), with molecular formula C25H23N3O6 and molecular weight 461.16 g/mol. IUPAC: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/42124333
Property Insights of AF-399/42124333
The XLogP value of 2.8719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/42124333. The TPSA of 114.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42124333. Following Lipinski's Rule of Five, AF-399/42124333 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 AF-399/42124333?
The CAS number of AF-399/42124333 is 620567-63-7.
What is the molecular formula of AF-399/42124333?
The molecular formula of AF-399/42124333 is C25H23N3O6.
What is the molecular weight of AF-399/42124333?
The molecular weight of AF-399/42124333 is 461.16 g/mol.
Where can I buy AF-399/42124333?
You can request a quote for AF-399/42124333 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42124333?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42124333 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.