AF-399/40991452
TL;DR: AF-399/40991452 (CAS 370869-83-3) is a chemical compound with molecular formula C25H32N2O3S and molecular weight 440.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-tert-butylphenyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: AF-399/40991452, (4E)-5-(4-tert-butylphenyl)-1-[2-(diethylamino)ethyl]-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione, 1-(2-diethylaminoethyl)-3-hydroxy-5-(4-tert-butylphenyl)-4-(thiophene-2-carbonyl)-5H-pyrrol-2-one, 2-(4-tert-butylphenyl)-1-(2-diethylaminoethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one, 5-(4-(tert-butyl)phenyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C25H32N2O3S |
|---|---|
| Molecular Weight | 440.21 g/mol |
| LogP | 4.9657 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 440.21338 |
| Heavy Atoms | 31 |
| Complexity | 951.6534 |
Chemical Identifiers
| CAS Number | 370869-83-3 |
|---|---|
| SMILES | CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
AF-399/40991452 (CAS 370869-83-3), with molecular formula C25H32N2O3S and molecular weight 440.21 g/mol. IUPAC: 2-(4-tert-butylphenyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of AF-399/40991452
Property Insights of AF-399/40991452
The XLogP value of 4.9657 indicates that AF-399/40991452 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40991452. Following Lipinski's Rule of Five, AF-399/40991452 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-399/40991452?
The CAS number of AF-399/40991452 is 370869-83-3.
What is the molecular formula of AF-399/40991452?
The molecular formula of AF-399/40991452 is C25H32N2O3S.
What is the molecular weight of AF-399/40991452?
The molecular weight of AF-399/40991452 is 440.21 g/mol.
Where can I buy AF-399/40991452?
You can request a quote for AF-399/40991452 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40991452?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40991452 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.