AE-848/12530016
TL;DR: AE-848/12530016 (CAS 461432-05-3) is a chemical compound with molecular formula C26H22N2O4S and molecular weight 458.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
Also Known As: AE-848/12530016, N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide, 3-(2,5-dioxopyrrolidin-1-yl)-N-[3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide, N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-(2,5-dioxo-1-pyrrolidinyl)benzamide, N-(3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
| Molecular Formula | C26H22N2O4S |
|---|---|
| Molecular Weight | 458.13 g/mol |
| LogP | 4.7636 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.13004 |
| Heavy Atoms | 33 |
| Complexity | 1262.699 |
Chemical Identifiers
| CAS Number | 461432-05-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O)C(=O)C5=CC=CC=C5 |
Product Overview
AE-848/12530016 (CAS 461432-05-3), with molecular formula C26H22N2O4S and molecular weight 458.13 g/mol. IUPAC: N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide.
Chemical Property Profile of AE-848/12530016
Property Insights of AE-848/12530016
The XLogP value of 4.7636 indicates that AE-848/12530016 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/12530016. Following Lipinski's Rule of Five, AE-848/12530016 has 1 hydrogen bond donor(s) and 5 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-848/12530016?
The CAS number of AE-848/12530016 is 461432-05-3.
What is the molecular formula of AE-848/12530016?
The molecular formula of AE-848/12530016 is C26H22N2O4S.
What is the molecular weight of AE-848/12530016?
The molecular weight of AE-848/12530016 is 458.13 g/mol.
Where can I buy AE-848/12530016?
You can request a quote for AE-848/12530016 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/12530016?
Yes, KEHONG BIO provides custom synthesis services for AE-848/12530016 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.