AF-399/42217433
TL;DR: AF-399/42217433 (CAS 620587-75-9) is a chemical compound with molecular formula C25H18N2O6S and molecular weight 474.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-[1-(4-hydroxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: AF-399/42217433, allyl 2-[1-(4-hydroxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate, allyl2-(1-(4-hydroxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl)-4-methyl-1,3-thiazole-5-carboxylate, prop-2-en-1-yl 2-[1-(4-hydroxyphenyl)-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate, prop-2-en-1-yl 2-[1-(4-hydroxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C25H18N2O6S |
|---|---|
| Molecular Weight | 474.09 g/mol |
| LogP | 4.35612 |
| Topological Polar Surface Area | 109.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.08856 |
| Heavy Atoms | 34 |
| Complexity | 1518.9434 |
Chemical Identifiers
| CAS Number | 620587-75-9 |
|---|---|
| SMILES | CC1=C(SC(=N1)N2C(C3=C(C2=O)OC4=CC=CC=C4C3=O)C5=CC=C(C=C5)O)C(=O)OCC=C |
Product Overview
AF-399/42217433 (CAS 620587-75-9), with molecular formula C25H18N2O6S and molecular weight 474.09 g/mol. IUPAC: prop-2-enyl 2-[1-(4-hydroxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of AF-399/42217433
Property Insights of AF-399/42217433
The XLogP value of 4.35612 indicates that AF-399/42217433 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42217433. Following Lipinski's Rule of Five, AF-399/42217433 has 1 hydrogen bond donor(s) and 8 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 AF-399/42217433?
The CAS number of AF-399/42217433 is 620587-75-9.
What is the molecular formula of AF-399/42217433?
The molecular formula of AF-399/42217433 is C25H18N2O6S.
What is the molecular weight of AF-399/42217433?
The molecular weight of AF-399/42217433 is 474.09 g/mol.
Where can I buy AF-399/42217433?
You can request a quote for AF-399/42217433 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42217433?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42217433 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.