AP-828/41100291
TL;DR: AP-828/41100291 (CAS 444800-45-7) is a chemical compound with molecular formula C20H20FN3O2S and molecular weight 385.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylidene]-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AP-828/41100291, (5E)-5-{[2,5-dimethyl-1-(propan-2-yl)-1H-pyrrol-3-yl]methylidene}-1-(3-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylidene]-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-1-(3-fluorophenyl)-5-((1-isopropyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-{[2,5-dimethyl-1-(propan-2-yl)-1H-pyrrol-3-yl]methylidene}-1-(3-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C20H20FN3O2S |
|---|---|
| Molecular Weight | 385.13 g/mol |
| LogP | 3.65624 |
| Topological Polar Surface Area | 54.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.12604 |
| Heavy Atoms | 27 |
| Complexity | 991.1082 |
Chemical Identifiers
| CAS Number | 444800-45-7 |
|---|---|
| SMILES | CC1=CC(=C(N1C(C)C)C)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)F |
Product Overview
AP-828/41100291 (CAS 444800-45-7), with molecular formula C20H20FN3O2S and molecular weight 385.13 g/mol. IUPAC: (5E)-5-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylidene]-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AP-828/41100291
Property Insights of AP-828/41100291
The XLogP value of 3.65624 indicates that AP-828/41100291 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.34 Ų, AP-828/41100291 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AP-828/41100291 has 1 hydrogen bond donor(s) and 3 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-828/41100291?
The CAS number of AP-828/41100291 is 444800-45-7.
What is the molecular formula of AP-828/41100291?
The molecular formula of AP-828/41100291 is C20H20FN3O2S.
What is the molecular weight of AP-828/41100291?
The molecular weight of AP-828/41100291 is 385.13 g/mol.
Where can I buy AP-828/41100291?
You can request a quote for AP-828/41100291 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-828/41100291?
Yes, KEHONG BIO provides custom synthesis services for AP-828/41100291 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.