AF-399/42100203
TL;DR: AF-399/42100203 (CAS 369403-68-9) is a chemical compound with molecular formula C22H16BrN3O4 and molecular weight 465.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(3-bromophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-pyrimidin-2-ylpyrrolidine-2,3-dione
Also Known As: AF-399/42100203, 5-(3-bromophenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one, (4E)-5-(3-bromophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-pyrimidin-2-ylpyrrolidine-2,3-dione, (E)-[2-(3-bromophenyl)-4,5-dioxo-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene](4-methoxyphenyl)methanolate, 5-(3-bromophenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-(2-pyrimidinyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C22H16BrN3O4 |
|---|---|
| Molecular Weight | 465.03 g/mol |
| LogP | 3.874 |
| Topological Polar Surface Area | 92.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 465.0324 |
| Heavy Atoms | 30 |
| Complexity | 1146.559 |
Chemical Identifiers
| CAS Number | 369403-68-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC=CC=N3)C4=CC(=CC=C4)Br)/O |
Product Overview
AF-399/42100203 (CAS 369403-68-9), with molecular formula C22H16BrN3O4 and molecular weight 465.03 g/mol. IUPAC: (4E)-5-(3-bromophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-pyrimidin-2-ylpyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/42100203
Property Insights of AF-399/42100203
The XLogP value of 3.874 indicates that AF-399/42100203 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.62 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42100203. Following Lipinski's Rule of Five, AF-399/42100203 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 AF-399/42100203?
The CAS number of AF-399/42100203 is 369403-68-9.
What is the molecular formula of AF-399/42100203?
The molecular formula of AF-399/42100203 is C22H16BrN3O4.
What is the molecular weight of AF-399/42100203?
The molecular weight of AF-399/42100203 is 465.03 g/mol.
Where can I buy AF-399/42100203?
You can request a quote for AF-399/42100203 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42100203?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42100203 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.