AE-848/36501053
TL;DR: AE-848/36501053 (CAS 342396-80-9) is a chemical compound with molecular formula C28H22N4O3S2 and molecular weight 526.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
Also Known As: AE-848/36501053, N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide, (E)-N'-(4-methoxybenzylidene)-2-((4-oxo-3,5-diphenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetohydrazide, N'-(4-methoxybenzylidene)-2-[(4-oxo-3,5-diphenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetohydrazide, N'-[(E)-(4-methoxyphenyl)methylidene]-2-[(4-oxo-3,5-diphenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetohydrazide
| Molecular Formula | C28H22N4O3S2 |
|---|---|
| Molecular Weight | 526.11 g/mol |
| LogP | 5.3652 |
| Topological Polar Surface Area | 85.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 526.11334 |
| Heavy Atoms | 37 |
| Complexity | 1613.1525 |
Chemical Identifiers
| CAS Number | 342396-80-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=N/NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2C5=CC=CC=C5 |
Product Overview
AE-848/36501053 (CAS 342396-80-9), with molecular formula C28H22N4O3S2 and molecular weight 526.11 g/mol. IUPAC: N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide.
Chemical Property Profile of AE-848/36501053
Property Insights of AE-848/36501053
The XLogP value of 5.3652 indicates that AE-848/36501053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.58 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/36501053. Following Lipinski's Rule of Five, AE-848/36501053 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/36501053?
The CAS number of AE-848/36501053 is 342396-80-9.
What is the molecular formula of AE-848/36501053?
The molecular formula of AE-848/36501053 is C28H22N4O3S2.
What is the molecular weight of AE-848/36501053?
The molecular weight of AE-848/36501053 is 526.11 g/mol.
Where can I buy AE-848/36501053?
You can request a quote for AE-848/36501053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/36501053?
Yes, KEHONG BIO provides custom synthesis services for AE-848/36501053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.