AF-399/42019939
TL;DR: AF-399/42019939 (CAS 618872-89-2) is a chemical compound with molecular formula C23H22N2O4S and molecular weight 422.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-tert-butylphenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: AF-399/42019939, 5-(4-(tert-butyl)phenyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one, F3226-0888, 2-(4-tert-butylphenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one, 5-(4-tert-butylphenyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-one
| Molecular Formula | C23H22N2O4S |
|---|---|
| Molecular Weight | 422.13 g/mol |
| LogP | 5.12492 |
| Topological Polar Surface Area | 83.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.13004 |
| Heavy Atoms | 30 |
| Complexity | 1134.8389 |
Chemical Identifiers
| CAS Number | 618872-89-2 |
|---|---|
| SMILES | CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=C(C=C4)C(C)(C)C |
Product Overview
AF-399/42019939 (CAS 618872-89-2), with molecular formula C23H22N2O4S and molecular weight 422.13 g/mol. IUPAC: 2-(4-tert-butylphenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of AF-399/42019939
Property Insights of AF-399/42019939
The XLogP value of 5.12492 indicates that AF-399/42019939 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.64 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42019939. Following Lipinski's Rule of Five, AF-399/42019939 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/42019939?
The CAS number of AF-399/42019939 is 618872-89-2.
What is the molecular formula of AF-399/42019939?
The molecular formula of AF-399/42019939 is C23H22N2O4S.
What is the molecular weight of AF-399/42019939?
The molecular weight of AF-399/42019939 is 422.13 g/mol.
Where can I buy AF-399/42019939?
You can request a quote for AF-399/42019939 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42019939?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42019939 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.