AF-399/41115307
TL;DR: AF-399/41115307 (CAS 488803-50-5) is a chemical compound with molecular formula C26H23NO7S and molecular weight 493.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]benzoate
Also Known As: AF-399/41115307, ethyl 4-{(3E)-2-(3,4-dimethoxyphenyl)-3-[hydroxy(thiophen-2-yl)methylidene]-4,5-dioxopyrrolidin-1-yl}benzoate, Ethyl 4-[2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]benzoate, ethyl 4-(2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-1-yl)benzoate, ethyl 4-[2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-3-(2-thienylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]benzoate
| Molecular Formula | C26H23NO7S |
|---|---|
| Molecular Weight | 493.12 g/mol |
| LogP | 4.7249 |
| Topological Polar Surface Area | 102.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 493.11954 |
| Heavy Atoms | 35 |
| Complexity | 1295.7443 |
Chemical Identifiers
| CAS Number | 488803-50-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC |
Product Overview
AF-399/41115307 (CAS 488803-50-5), with molecular formula C26H23NO7S and molecular weight 493.12 g/mol. IUPAC: ethyl 4-[2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]benzoate.
Chemical Property Profile of AF-399/41115307
Property Insights of AF-399/41115307
The XLogP value of 4.7249 indicates that AF-399/41115307 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.37 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41115307. Following Lipinski's Rule of Five, AF-399/41115307 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-399/41115307?
The CAS number of AF-399/41115307 is 488803-50-5.
What is the molecular formula of AF-399/41115307?
The molecular formula of AF-399/41115307 is C26H23NO7S.
What is the molecular weight of AF-399/41115307?
The molecular weight of AF-399/41115307 is 493.12 g/mol.
Where can I buy AF-399/41115307?
You can request a quote for AF-399/41115307 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41115307?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41115307 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.