AP-828/41101148
TL;DR: AP-828/41101148 (CAS 444801-18-7) is a chemical compound with molecular formula C22H13FN2O5S and molecular weight 436.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(E)-[1-(3-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid
Also Known As: AP-828/41101148, 4-(5-{(E)-[1-(3-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid, (E)-4-(5-((1-(3-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid, 4-(5-{(E)-[1-(3-fluorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}furan-2-yl)benzoic acid, 4-[5-[(E)-[1-(3-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid
| Molecular Formula | C22H13FN2O5S |
|---|---|
| Molecular Weight | 436.05 g/mol |
| LogP | 3.6152 |
| Topological Polar Surface Area | 99.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.05292 |
| Heavy Atoms | 31 |
| Complexity | 1262.9155 |
Chemical Identifiers
| CAS Number | 444801-18-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)N2C(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)/C(=O)NC2=S |
Product Overview
AP-828/41101148 (CAS 444801-18-7), with molecular formula C22H13FN2O5S and molecular weight 436.05 g/mol. IUPAC: 4-[5-[(E)-[1-(3-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of AP-828/41101148
Property Insights of AP-828/41101148
The XLogP value of 3.6152 indicates that AP-828/41101148 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-828/41101148. Following Lipinski's Rule of Five, AP-828/41101148 has 2 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-828/41101148?
The CAS number of AP-828/41101148 is 444801-18-7.
What is the molecular formula of AP-828/41101148?
The molecular formula of AP-828/41101148 is C22H13FN2O5S.
What is the molecular weight of AP-828/41101148?
The molecular weight of AP-828/41101148 is 436.05 g/mol.
Where can I buy AP-828/41101148?
You can request a quote for AP-828/41101148 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-828/41101148?
Yes, KEHONG BIO provides custom synthesis services for AP-828/41101148 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.