AE-848/41539624
TL;DR: AE-848/41539624 (CAS 462622-11-3) is a chemical compound with molecular formula C25H22N2O6S and molecular weight 478.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate
Also Known As: AE-848/41539624, ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate, ethyl 2-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}-4-(4-ethoxyphenyl)-3-thiophenecarboxylate, ethyl 2-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-4-(4-ethoxyphenyl)thiophene-3-carboxylate
| Molecular Formula | C25H22N2O6S |
|---|---|
| Molecular Weight | 478.12 g/mol |
| LogP | 4.2252 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 478.11984 |
| Heavy Atoms | 34 |
| Complexity | 1229.6652 |
Chemical Identifiers
| CAS Number | 462622-11-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O |
Product Overview
AE-848/41539624 (CAS 462622-11-3), with molecular formula C25H22N2O6S and molecular weight 478.12 g/mol. IUPAC: ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate.
Chemical Property Profile of AE-848/41539624
Property Insights of AE-848/41539624
The XLogP value of 4.2252 indicates that AE-848/41539624 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/41539624. Following Lipinski's Rule of Five, AE-848/41539624 has 1 hydrogen bond donor(s) and 7 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 AE-848/41539624?
The CAS number of AE-848/41539624 is 462622-11-3.
What is the molecular formula of AE-848/41539624?
The molecular formula of AE-848/41539624 is C25H22N2O6S.
What is the molecular weight of AE-848/41539624?
The molecular weight of AE-848/41539624 is 478.12 g/mol.
Where can I buy AE-848/41539624?
You can request a quote for AE-848/41539624 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/41539624?
Yes, KEHONG BIO provides custom synthesis services for AE-848/41539624 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.