AF-399/42100530
TL;DR: AF-399/42100530 (CAS 614747-94-3) is a chemical compound with molecular formula C28H28N2O4 and molecular weight 456.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[hydroxy-(4-propoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione
Also Known As: AF-399/42100530, 3-hydroxy-5-(4-isopropylphenyl)-4-(4-propoxybenzoyl)-1-(2-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one, (4E)-4-[hydroxy-(4-propoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione, (E)-{4,5-dioxo-2-[4-(propan-2-yl)phenyl]-1-(pyridinium-2-yl)pyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate, 3-hydroxy-5-(4-isopropylphenyl)-4-(4-propoxybenzoyl)-1-(pyridin-2-yl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C28H28N2O4 |
|---|---|
| Molecular Weight | 456.20 g/mol |
| LogP | 5.6201 |
| Topological Polar Surface Area | 79.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.2049 |
| Heavy Atoms | 34 |
| Complexity | 1199.4182 |
Chemical Identifiers
| CAS Number | 614747-94-3 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=CC=N3)C4=CC=C(C=C4)C(C)C)/O |
Product Overview
AF-399/42100530 (CAS 614747-94-3), with molecular formula C28H28N2O4 and molecular weight 456.20 g/mol. IUPAC: (4E)-4-[hydroxy-(4-propoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/42100530
Property Insights of AF-399/42100530
The XLogP value of 5.6201 indicates that AF-399/42100530 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.73 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42100530. Following Lipinski's Rule of Five, AF-399/42100530 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/42100530?
The CAS number of AF-399/42100530 is 614747-94-3.
What is the molecular formula of AF-399/42100530?
The molecular formula of AF-399/42100530 is C28H28N2O4.
What is the molecular weight of AF-399/42100530?
The molecular weight of AF-399/42100530 is 456.20 g/mol.
Where can I buy AF-399/42100530?
You can request a quote for AF-399/42100530 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42100530?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42100530 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.