AF-399/42100085
TL;DR: AF-399/42100085 (CAS 613220-20-5) is a chemical compound with molecular formula C25H28N2O4 and molecular weight 420.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-[3-(dimethylamino)propyl]-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
Also Known As: AF-399/42100085, (4E)-1-[3-(dimethylamino)propyl]-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione, (E)-[1-[3-(dimethylazaniumyl)propyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-(4-prop-2-enoxyphenyl)methanolate, 4-[4-(allyloxy)benzoyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-phenyl-1,5-dihydro-2H-pyrrol-2-one, (4Z)-1-[3-(dimethylamino)propyl]-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
| Molecular Formula | C25H28N2O4 |
|---|---|
| Molecular Weight | 420.20 g/mol |
| LogP | 3.6248 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 420.2049 |
| Heavy Atoms | 31 |
| Complexity | 964.7763 |
Chemical Identifiers
| CAS Number | 613220-20-5 |
|---|---|
| SMILES | CN(C)CCCN1C(/C(=C(/C2=CC=C(C=C2)OCC=C)\O)/C(=O)C1=O)C3=CC=CC=C3 |
Product Overview
AF-399/42100085 (CAS 613220-20-5), with molecular formula C25H28N2O4 and molecular weight 420.20 g/mol. IUPAC: (4E)-1-[3-(dimethylamino)propyl]-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/42100085
Property Insights of AF-399/42100085
The XLogP value of 3.6248 indicates that AF-399/42100085 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42100085. Following Lipinski's Rule of Five, AF-399/42100085 has 1 hydrogen bond donor(s) and 5 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-399/42100085?
The CAS number of AF-399/42100085 is 613220-20-5.
What is the molecular formula of AF-399/42100085?
The molecular formula of AF-399/42100085 is C25H28N2O4.
What is the molecular weight of AF-399/42100085?
The molecular weight of AF-399/42100085 is 420.20 g/mol.
Where can I buy AF-399/42100085?
You can request a quote for AF-399/42100085 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42100085?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42100085 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.