AP-906/41649633
TL;DR: AP-906/41649633 (CAS 514191-44-7) is a chemical compound with molecular formula C24H15FN2O6S and molecular weight 478.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[1-(6-fluoro-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate
Also Known As: AP-906/41649633, methyl 4-{(3E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-3-[furan-2-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate, methyl 4-[1-(6-fluoro-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate, methyl 4-(1-(6-fluorobenzo[d]thiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate, methyl 4-[1-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-furoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
| Molecular Formula | C24H15FN2O6S |
|---|---|
| Molecular Weight | 478.06 g/mol |
| LogP | 4.5979 |
| Topological Polar Surface Area | 109.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.06348 |
| Heavy Atoms | 34 |
| Complexity | 1473.1628 |
Chemical Identifiers
| CAS Number | 514191-44-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)F)O)C(=O)C5=CC=CO5 |
Product Overview
AP-906/41649633 (CAS 514191-44-7), with molecular formula C24H15FN2O6S and molecular weight 478.06 g/mol. IUPAC: methyl 4-[1-(6-fluoro-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate.
Chemical Property Profile of AP-906/41649633
Property Insights of AP-906/41649633
The XLogP value of 4.5979 indicates that AP-906/41649633 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 AP-906/41649633. Following Lipinski's Rule of Five, AP-906/41649633 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 AP-906/41649633?
The CAS number of AP-906/41649633 is 514191-44-7.
What is the molecular formula of AP-906/41649633?
The molecular formula of AP-906/41649633 is C24H15FN2O6S.
What is the molecular weight of AP-906/41649633?
The molecular weight of AP-906/41649633 is 478.06 g/mol.
Where can I buy AP-906/41649633?
You can request a quote for AP-906/41649633 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-906/41649633?
Yes, KEHONG BIO provides custom synthesis services for AP-906/41649633 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.