AF-399/42047582
TL;DR: AF-399/42047582 (CAS 619271-77-1) is a chemical compound with molecular formula C26H26N2O4S and molecular weight 462.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(3-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: AF-399/42047582, 1-[2-(Dimethylamino)ethyl]-4-hydroxy-2-(3-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one, 1-(2-dimethylaminoethyl)-4-hydroxy-2-(3-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one, 5-[3-(benzyloxy)phenyl]-1-[2-(dimethylamino)ethyl]-3-hydroxy-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one, 5-[3-(benzyloxy)phenyl]-1-[2-(dimethylamino)ethyl]-3-hydroxy-4-(thiophen-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C26H26N2O4S |
|---|---|
| Molecular Weight | 462.16 g/mol |
| LogP | 4.467 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 462.16132 |
| Heavy Atoms | 33 |
| Complexity | 1156.0546 |
Chemical Identifiers
| CAS Number | 619271-77-1 |
|---|---|
| SMILES | CN(C)CCN1C(C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC(=CC=C3)OCC4=CC=CC=C4 |
Product Overview
AF-399/42047582 (CAS 619271-77-1), with molecular formula C26H26N2O4S and molecular weight 462.16 g/mol. IUPAC: 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(3-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of AF-399/42047582
Property Insights of AF-399/42047582
The XLogP value of 4.467 indicates that AF-399/42047582 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-399/42047582. Following Lipinski's Rule of Five, AF-399/42047582 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-399/42047582?
The CAS number of AF-399/42047582 is 619271-77-1.
What is the molecular formula of AF-399/42047582?
The molecular formula of AF-399/42047582 is C26H26N2O4S.
What is the molecular weight of AF-399/42047582?
The molecular weight of AF-399/42047582 is 462.16 g/mol.
Where can I buy AF-399/42047582?
You can request a quote for AF-399/42047582 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42047582?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42047582 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.