AP-828/41269067
TL;DR: AP-828/41269067 (CAS 500135-52-4) is a chemical compound with molecular formula C18H16N2O5S and molecular weight 372.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5E)-5-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Also Known As: AP-828/41269067, methyl [(5E)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate, (E)-methyl 2-(5-((1-(4-methoxyphenyl)-1H-pyrrol-2-yl)methylene)-2,4-dioxothiazolidin-3-yl)acetate, methyl (5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylene}-2,4-dioxo-1,3-thiazolidin-3-yl)acetate, methyl 2-[(5E)-5-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
| Molecular Formula | C18H16N2O5S |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | 2.6952 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.078 |
| Heavy Atoms | 26 |
| Complexity | 885.24133 |
Chemical Identifiers
| CAS Number | 500135-52-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C=CC=C2/C=C/3\C(=O)N(C(=O)S3)CC(=O)OC |
Product Overview
AP-828/41269067 (CAS 500135-52-4), with molecular formula C18H16N2O5S and molecular weight 372.08 g/mol. IUPAC: methyl 2-[(5E)-5-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of AP-828/41269067
Property Insights of AP-828/41269067
The XLogP value of 2.6952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AP-828/41269067. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-828/41269067. Following Lipinski's Rule of Five, AP-828/41269067 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-828/41269067?
The CAS number of AP-828/41269067 is 500135-52-4.
What is the molecular formula of AP-828/41269067?
The molecular formula of AP-828/41269067 is C18H16N2O5S.
What is the molecular weight of AP-828/41269067?
The molecular weight of AP-828/41269067 is 372.08 g/mol.
Where can I buy AP-828/41269067?
You can request a quote for AP-828/41269067 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-828/41269067?
Yes, KEHONG BIO provides custom synthesis services for AP-828/41269067 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.