AP-828/41268165
TL;DR: AP-828/41268165 (CAS 500134-88-3) is a chemical compound with molecular formula C17H16BrNO8S and molecular weight 472.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5E)-5-[[2-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Also Known As: AP-828/41268165, methyl {(5E)-5-[2-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate, methyl 2-[(5E)-5-[[2-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate, (E)-methyl 2-(5-bromo-2-methoxy-4-((3-(2-methoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)acetate, methyl {5-[2-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate
| Molecular Formula | C17H16BrNO8S |
|---|---|
| Molecular Weight | 472.98 g/mol |
| LogP | 2.2188 |
| Topological Polar Surface Area | 108.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 472.978 |
| Heavy Atoms | 28 |
| Complexity | 853.80426 |
Chemical Identifiers
| CAS Number | 500134-88-3 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)/C=C/2\C(=O)N(C(=O)S2)CC(=O)OC)Br)OCC(=O)OC |
Product Overview
AP-828/41268165 (CAS 500134-88-3), with molecular formula C17H16BrNO8S and molecular weight 472.98 g/mol. IUPAC: methyl 2-[(5E)-5-[[2-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of AP-828/41268165
Property Insights of AP-828/41268165
The XLogP value of 2.2188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AP-828/41268165. The TPSA of 108.44 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-828/41268165. Following Lipinski's Rule of Five, AP-828/41268165 has 0 hydrogen bond donor(s) and 9 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-828/41268165?
The CAS number of AP-828/41268165 is 500134-88-3.
What is the molecular formula of AP-828/41268165?
The molecular formula of AP-828/41268165 is C17H16BrNO8S.
What is the molecular weight of AP-828/41268165?
The molecular weight of AP-828/41268165 is 472.98 g/mol.
Where can I buy AP-828/41268165?
You can request a quote for AP-828/41268165 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-828/41268165?
Yes, KEHONG BIO provides custom synthesis services for AP-828/41268165 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.