AP-828/41100706
TL;DR: AP-828/41100706 (CAS 444297-88-5) is a chemical compound with molecular formula C19H16FN3O3S and molecular weight 385.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(3-fluorophenyl)-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AP-828/41100706, (5E)-1-(3-fluorophenyl)-5-{[5-(pyrrolidin-1-yl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-1-(3-fluorophenyl)-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-1-(3-fluorophenyl)-5-((5-(pyrrolidin-1-yl)furan-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-1-(3-fluorophenyl)-5-{[5-(pyrrolidin-1-yl)furan-2-yl]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C19H16FN3O3S |
|---|---|
| Molecular Weight | 385.09 g/mol |
| LogP | 2.8502 |
| Topological Polar Surface Area | 65.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.08963 |
| Heavy Atoms | 27 |
| Complexity | 962.61444 |
Chemical Identifiers
| CAS Number | 444297-88-5 |
|---|---|
| SMILES | C1CCN(C1)C2=CC=C(O2)/C=C/3\C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)F |
Product Overview
AP-828/41100706 (CAS 444297-88-5), with molecular formula C19H16FN3O3S and molecular weight 385.09 g/mol. IUPAC: (5E)-1-(3-fluorophenyl)-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AP-828/41100706
Property Insights of AP-828/41100706
The XLogP value of 2.8502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AP-828/41100706. The TPSA of 65.79 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-828/41100706. Following Lipinski's Rule of Five, AP-828/41100706 has 1 hydrogen bond donor(s) and 5 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-828/41100706?
The CAS number of AP-828/41100706 is 444297-88-5.
What is the molecular formula of AP-828/41100706?
The molecular formula of AP-828/41100706 is C19H16FN3O3S.
What is the molecular weight of AP-828/41100706?
The molecular weight of AP-828/41100706 is 385.09 g/mol.
Where can I buy AP-828/41100706?
You can request a quote for AP-828/41100706 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-828/41100706?
Yes, KEHONG BIO provides custom synthesis services for AP-828/41100706 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.