AP-828/41099709
TL;DR: AP-828/41099709 (CAS 444689-86-5) is a chemical compound with molecular formula C24H18FN3O4S and molecular weight 463.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[(E)-[1-(3-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid
Also Known As: AP-828/41099709, 3-(3-{(E)-[1-(3-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid, (E)-3-(3-((1-(3-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid, 3-(3-{(E)-[1-(3-fluorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid, 3-[3-[(E)-[1-(3-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid
| Molecular Formula | C24H18FN3O4S |
|---|---|
| Molecular Weight | 463.10 g/mol |
| LogP | 3.76274 |
| Topological Polar Surface Area | 91.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 463.10022 |
| Heavy Atoms | 33 |
| Complexity | 1375.7789 |
Chemical Identifiers
| CAS Number | 444689-86-5 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)/C=C/3\C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)F |
Product Overview
AP-828/41099709 (CAS 444689-86-5), with molecular formula C24H18FN3O4S and molecular weight 463.10 g/mol. IUPAC: 3-[3-[(E)-[1-(3-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid.
Chemical Property Profile of AP-828/41099709
Property Insights of AP-828/41099709
The XLogP value of 3.76274 indicates that AP-828/41099709 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.64 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-828/41099709. Following Lipinski's Rule of Five, AP-828/41099709 has 2 hydrogen bond donor(s) and 4 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-828/41099709?
The CAS number of AP-828/41099709 is 444689-86-5.
What is the molecular formula of AP-828/41099709?
The molecular formula of AP-828/41099709 is C24H18FN3O4S.
What is the molecular weight of AP-828/41099709?
The molecular weight of AP-828/41099709 is 463.10 g/mol.
Where can I buy AP-828/41099709?
You can request a quote for AP-828/41099709 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-828/41099709?
Yes, KEHONG BIO provides custom synthesis services for AP-828/41099709 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.