AF-399/40991709
TL;DR: AF-399/40991709 (CAS 370586-46-2) is a chemical compound with molecular formula C24H20N2O6S and molecular weight 464.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4E)-4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: AF-399/40991709, methyl 2-(3-hydroxy-4-(4-methoxybenzoyl)-2-oxo-5-phenyl-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, methyl 2-[(4E)-4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-[3-hydroxy-4-(4-methoxybenzoyl)-2-oxo-5-phenyl-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-{(3E)-3-[hydroxy(4-methoxyphenyl)methylidene]-4,5-dioxo-2-phenylpyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C24H20N2O6S |
|---|---|
| Molecular Weight | 464.10 g/mol |
| LogP | 3.87302 |
| Topological Polar Surface Area | 106.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.10422 |
| Heavy Atoms | 33 |
| Complexity | 1263.8665 |
Chemical Identifiers
| CAS Number | 370586-46-2 |
|---|---|
| SMILES | CC1=C(SC(=N1)N2C(/C(=C(/C3=CC=C(C=C3)OC)\O)/C(=O)C2=O)C4=CC=CC=C4)C(=O)OC |
Product Overview
AF-399/40991709 (CAS 370586-46-2), with molecular formula C24H20N2O6S and molecular weight 464.10 g/mol. IUPAC: methyl 2-[(4E)-4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of AF-399/40991709
Property Insights of AF-399/40991709
The XLogP value of 3.87302 indicates that AF-399/40991709 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.03 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40991709. Following Lipinski's Rule of Five, AF-399/40991709 has 1 hydrogen bond donor(s) and 8 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-399/40991709?
The CAS number of AF-399/40991709 is 370586-46-2.
What is the molecular formula of AF-399/40991709?
The molecular formula of AF-399/40991709 is C24H20N2O6S.
What is the molecular weight of AF-399/40991709?
The molecular weight of AF-399/40991709 is 464.10 g/mol.
Where can I buy AF-399/40991709?
You can request a quote for AF-399/40991709 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40991709?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40991709 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.