AF-399/41115302
TL;DR: AF-399/41115302 (CAS 496774-33-5) is a chemical compound with molecular formula C27H20N2O4S and molecular weight 468.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-1-(6-methyl-2-pyridinyl)-2-(3-phenoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: AF-399/41115302, (E)-[1-(6-methylpyridinium-2-yl)-4,5-dioxo-2-(3-phenoxyphenyl)pyrrolidin-3-ylidene](thiophen-2-yl)methanolate, 3-hydroxy-1-(6-methyl-2-pyridinyl)-5-(3-phenoxyphenyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one, 3-hydroxy-1-(6-methyl(2-pyridyl))-5-(3-phenoxyphenyl)-4-(2-thienylcarbonyl)-3- pyrrolin-2-one, 3-Hydroxy-1-(6-methyl-pyridin-2-yl)-5-(3-phenoxy-phenyl)-4-(thiophene-2-carbonyl)-1,5-dihydro-pyrrol-2- one
| Molecular Formula | C27H20N2O4S |
|---|---|
| Molecular Weight | 468.11 g/mol |
| LogP | 6.02672 |
| Topological Polar Surface Area | 79.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 468.11438 |
| Heavy Atoms | 34 |
| Complexity | 1397.1793 |
Chemical Identifiers
| CAS Number | 496774-33-5 |
|---|---|
| SMILES | CC1=NC(=CC=C1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC(=CC=C4)OC5=CC=CC=C5 |
Product Overview
AF-399/41115302 (CAS 496774-33-5), with molecular formula C27H20N2O4S and molecular weight 468.11 g/mol. IUPAC: 4-hydroxy-1-(6-methyl-2-pyridinyl)-2-(3-phenoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of AF-399/41115302
Property Insights of AF-399/41115302
The XLogP value of 6.02672 indicates that AF-399/41115302 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.73 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41115302. Following Lipinski's Rule of Five, AF-399/41115302 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-399/41115302?
The CAS number of AF-399/41115302 is 496774-33-5.
What is the molecular formula of AF-399/41115302?
The molecular formula of AF-399/41115302 is C27H20N2O4S.
What is the molecular weight of AF-399/41115302?
The molecular weight of AF-399/41115302 is 468.11 g/mol.
Where can I buy AF-399/41115302?
You can request a quote for AF-399/41115302 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41115302?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41115302 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.