AP-828/41268646
TL;DR: AP-828/41268646 (CAS 500135-18-2) is a chemical compound with molecular formula C18H17N3O4S and molecular weight 371.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5E)-5-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Also Known As: AP-828/41268646, methyl [(5E)-5-{[2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate, (E)-methyl 2-(5-((2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl)methylene)-2,4-dioxothiazolidin-3-yl)acetate, methyl {5-[(2,5-dimethyl-1-pyridin-2-yl-1H-pyrrol-3-yl)methylene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate, methyl 2-[(5E)-5-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
| Molecular Formula | C18H17N3O4S |
|---|---|
| Molecular Weight | 371.09 g/mol |
| LogP | 2.69844 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.09396 |
| Heavy Atoms | 26 |
| Complexity | 918.01746 |
Chemical Identifiers
| CAS Number | 500135-18-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC=N2)C)/C=C/3\C(=O)N(C(=O)S3)CC(=O)OC |
Product Overview
AP-828/41268646 (CAS 500135-18-2), with molecular formula C18H17N3O4S and molecular weight 371.09 g/mol. IUPAC: methyl 2-[(5E)-5-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of AP-828/41268646
Property Insights of AP-828/41268646
The XLogP value of 2.69844 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AP-828/41268646. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-828/41268646. Following Lipinski's Rule of Five, AP-828/41268646 has 0 hydrogen bond donor(s) and 6 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 AP-828/41268646?
The CAS number of AP-828/41268646 is 500135-18-2.
What is the molecular formula of AP-828/41268646?
The molecular formula of AP-828/41268646 is C18H17N3O4S.
What is the molecular weight of AP-828/41268646?
The molecular weight of AP-828/41268646 is 371.09 g/mol.
Where can I buy AP-828/41268646?
You can request a quote for AP-828/41268646 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-828/41268646?
Yes, KEHONG BIO provides custom synthesis services for AP-828/41268646 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.