AE-641/41201570
TL;DR: AE-641/41201570 (CAS 379247-70-8) is a chemical compound with molecular formula C22H16N2O5S and molecular weight 420.078 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-5-phenylthiophene-3-carboxylate
Also Known As: AE-641/41201570, methyl 2-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}-5-phenyl-3-thiophenecarboxylate, methyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-5-phenylthiophene-3-carboxylate, methyl 2-[2-(1,3-dioxobenzo[c]azolin-2-yl)acetylamino]-5-phenylthiophene-3-car boxylate, methyl 2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]-5-phenylthiophene-3-carboxylate
Technical Specifications
| Molecular Formula | C22H16N2O5S |
| Molecular Weight | 420.078 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.078 Da |
| Heavy Atoms | 30 |
| Complexity | 684.0 |
| SMILES | COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O |
| InChIKey | NFMWPJAIRPCVRC-UHFFFAOYSA-N |
Chemical Property Profile of AE-641/41201570
Property Insights of AE-641/41201570
The XLogP value of 3.9 indicates that AE-641/41201570 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/41201570. Following Lipinski's Rule of Five, AE-641/41201570 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of AE-641/41201570?
The CAS number of AE-641/41201570 is 379247-70-8.
What is the molecular formula of AE-641/41201570?
The molecular formula of AE-641/41201570 is C22H16N2O5S.
What is the molecular weight of AE-641/41201570?
The molecular weight of AE-641/41201570 is 420.078 g/mol.
Where can I buy AE-641/41201570?
You can request a quote for AE-641/41201570 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AE-641/41201570?
Yes, CoreyChem provides custom synthesis services for AE-641/41201570 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.