AP-828/41269020
TL;DR: AP-828/41269020 (CAS 500135-45-5) is a chemical compound with molecular formula C17H13NO5S2 and molecular weight 375.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5E)-2,4-dioxo-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetate
Also Known As: AP-828/41269020, methyl [(5E)-2,4-dioxo-5-{[5-(phenylsulfanyl)furan-2-yl]methylidene}-1,3-thiazolidin-3-yl]acetate, (E)-methyl 2-(2,4-dioxo-5-((5-(phenylthio)furan-2-yl)methylene)thiazolidin-3-yl)acetate, methyl (2,4-dioxo-5-{[5-(phenylsulfanyl)-2-furyl]methylene}-1,3-thiazolidin-3-yl)acetate, methyl 2-[(5E)-2,4-dioxo-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetate
| Molecular Formula | C17H13NO5S2 |
|---|---|
| Molecular Weight | 375.02 g/mol |
| LogP | 3.6401 |
| Topological Polar Surface Area | 76.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.02353 |
| Heavy Atoms | 25 |
| Complexity | 843.7329 |
Chemical Identifiers
| CAS Number | 500135-45-5 |
|---|---|
| SMILES | COC(=O)CN1C(=O)/C(=C\C2=CC=C(O2)SC3=CC=CC=C3)/SC1=O |
Product Overview
AP-828/41269020 (CAS 500135-45-5), with molecular formula C17H13NO5S2 and molecular weight 375.02 g/mol. IUPAC: methyl 2-[(5E)-2,4-dioxo-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of AP-828/41269020
Property Insights of AP-828/41269020
The XLogP value of 3.6401 indicates that AP-828/41269020 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-828/41269020. Following Lipinski's Rule of Five, AP-828/41269020 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-828/41269020?
The CAS number of AP-828/41269020 is 500135-45-5.
What is the molecular formula of AP-828/41269020?
The molecular formula of AP-828/41269020 is C17H13NO5S2.
What is the molecular weight of AP-828/41269020?
The molecular weight of AP-828/41269020 is 375.02 g/mol.
Where can I buy AP-828/41269020?
You can request a quote for AP-828/41269020 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-828/41269020?
Yes, KEHONG BIO provides custom synthesis services for AP-828/41269020 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.