AP-828/41269059
TL;DR: AP-828/41269059 (CAS 690688-78-9) is a chemical compound with molecular formula C17H18N2O5S and molecular weight 362.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5E)-5-[(4-morpholin-4-ylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Also Known As: AP-828/41269059, methyl {(5E)-5-[4-(morpholin-4-yl)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate, (E)-methyl 2-(5-(4-morpholinobenzylidene)-2,4-dioxothiazolidin-3-yl)acetate, methyl [5-(4-morpholin-4-ylbenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate, methyl 2-[(5E)-5-[(4-morpholin-4-ylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
| Molecular Formula | C17H18N2O5S |
|---|---|
| Molecular Weight | 362.09 g/mol |
| LogP | 1.7325 |
| Topological Polar Surface Area | 76.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.09363 |
| Heavy Atoms | 25 |
| Complexity | 710.2533 |
Chemical Identifiers
| CAS Number | 690688-78-9 |
|---|---|
| SMILES | COC(=O)CN1C(=O)/C(=C\C2=CC=C(C=C2)N3CCOCC3)/SC1=O |
Product Overview
AP-828/41269059 (CAS 690688-78-9), with molecular formula C17H18N2O5S and molecular weight 362.09 g/mol. IUPAC: methyl 2-[(5E)-5-[(4-morpholin-4-ylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of AP-828/41269059
Property Insights of AP-828/41269059
The XLogP value of 1.7325 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AP-828/41269059. The TPSA of 76.15 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-828/41269059. Following Lipinski's Rule of Five, AP-828/41269059 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 AP-828/41269059?
The CAS number of AP-828/41269059 is 690688-78-9.
What is the molecular formula of AP-828/41269059?
The molecular formula of AP-828/41269059 is C17H18N2O5S.
What is the molecular weight of AP-828/41269059?
The molecular weight of AP-828/41269059 is 362.09 g/mol.
Where can I buy AP-828/41269059?
You can request a quote for AP-828/41269059 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-828/41269059?
Yes, KEHONG BIO provides custom synthesis services for AP-828/41269059 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.