AF-399/42100627
TL;DR: AF-399/42100627 (CAS 615274-54-9) is a chemical compound with molecular formula C26H26N2O3S and molecular weight 446.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
Also Known As: AF-399/42100627, (4E)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione, 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-hydroxy-5-(4-isopropylphenyl)-4-(4-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one, (4E)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[hydroxy(4-methylphenyl)methylidene]-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione, 1-(4,5-dimethyl(1,3-thiazol-2-yl))-3-hydroxy-5-[4-(methylethyl)phenyl]-4-[(4-m ethylphenyl)carbonyl]-3-pyrrolin-2-one
| Molecular Formula | C26H26N2O3S |
|---|---|
| Molecular Weight | 446.17 g/mol |
| LogP | 5.81806 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.1664 |
| Heavy Atoms | 32 |
| Complexity | 1201.4629 |
Chemical Identifiers
| CAS Number | 615274-54-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC(=C(S3)C)C)C4=CC=C(C=C4)C(C)C)/O |
Product Overview
AF-399/42100627 (CAS 615274-54-9), with molecular formula C26H26N2O3S and molecular weight 446.17 g/mol. IUPAC: (4E)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/42100627
Property Insights of AF-399/42100627
The XLogP value of 5.81806 indicates that AF-399/42100627 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42100627. Following Lipinski's Rule of Five, AF-399/42100627 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/42100627?
The CAS number of AF-399/42100627 is 615274-54-9.
What is the molecular formula of AF-399/42100627?
The molecular formula of AF-399/42100627 is C26H26N2O3S.
What is the molecular weight of AF-399/42100627?
The molecular weight of AF-399/42100627 is 446.17 g/mol.
Where can I buy AF-399/42100627?
You can request a quote for AF-399/42100627 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42100627?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42100627 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.