AF-399/41899605
TL;DR: AF-399/41899605 (CAS 956048-40-1) is a chemical compound with molecular formula C25H24N4O3S2 and molecular weight 492.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[(5Z)-4-oxo-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-1,3-thiazol-2-yl]piperidine-4-carboxylate
Also Known As: AF-399/41899605, ethyl 1-(4-oxo-5-{[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]methylene}-4,5-dihydro-1,3-thiazol-2-yl)-4-piperidinecarboxylate, ethyl 1-[(5Z)-4-oxo-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-1,3-thiazol-2-yl]piperidine-4-carboxylate, (Z)-ethyl 1-(4-oxo-5-((1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)methylene)-4,5-dihydrothiazol-2-yl)piperidine-4-carboxylate, ethyl 1-[(5Z)-4-oxo-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxylate
| Molecular Formula | C25H24N4O3S2 |
|---|---|
| Molecular Weight | 492.13 g/mol |
| LogP | 4.8462 |
| Topological Polar Surface Area | 76.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 492.129 |
| Heavy Atoms | 34 |
| Complexity | 1240.4541 |
Chemical Identifiers
| CAS Number | 956048-40-1 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C2=NC(=O)/C(=C/C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)/S2 |
Product Overview
AF-399/41899605 (CAS 956048-40-1), with molecular formula C25H24N4O3S2 and molecular weight 492.13 g/mol. IUPAC: ethyl 1-[(5Z)-4-oxo-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-1,3-thiazol-2-yl]piperidine-4-carboxylate.
Chemical Property Profile of AF-399/41899605
Property Insights of AF-399/41899605
The XLogP value of 4.8462 indicates that AF-399/41899605 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.79 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41899605. Following Lipinski's Rule of Five, AF-399/41899605 has 0 hydrogen bond donor(s) and 7 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-399/41899605?
The CAS number of AF-399/41899605 is 956048-40-1.
What is the molecular formula of AF-399/41899605?
The molecular formula of AF-399/41899605 is C25H24N4O3S2.
What is the molecular weight of AF-399/41899605?
The molecular weight of AF-399/41899605 is 492.13 g/mol.
Where can I buy AF-399/41899605?
You can request a quote for AF-399/41899605 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41899605?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41899605 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.