AE-848/13005063
TL;DR: AE-848/13005063 (CAS 1164528-39-5) is a chemical compound with molecular formula C20H17N3O3S and molecular weight 379.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(Z)-3-(4-methoxyanilino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]thiophene-2-carboxamide
Also Known As: AE-848/13005063, N-[(Z)-3-(4-methoxyanilino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]thiophene-2-carboxamide, N-[1-{[(4-methoxyphenyl)amino]carbonyl}-2-(3-pyridinyl)vinyl]-2-thiophenecarboxamide, N-[(1Z)-3-[(4-methoxyphenyl)amino]-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl]thiophene-2-carboxamide, N-[(Z)-1-[(4-methoxyphenyl)carbamoyl]-2-(3-pyridyl)vinyl]thiophene-2-carboxamide
| Molecular Formula | C20H17N3O3S |
|---|---|
| Molecular Weight | 379.10 g/mol |
| LogP | 3.5613 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.09906 |
| Heavy Atoms | 27 |
| Complexity | 936.37286 |
Chemical Identifiers
| CAS Number | 1164528-39-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)/C(=C/C2=CN=CC=C2)/NC(=O)C3=CC=CS3 |
Product Overview
AE-848/13005063 (CAS 1164528-39-5), with molecular formula C20H17N3O3S and molecular weight 379.10 g/mol. IUPAC: N-[(Z)-3-(4-methoxyanilino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]thiophene-2-carboxamide.
Chemical Property Profile of AE-848/13005063
Property Insights of AE-848/13005063
The XLogP value of 3.5613 indicates that AE-848/13005063 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/13005063. Following Lipinski's Rule of Five, AE-848/13005063 has 2 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-848/13005063?
The CAS number of AE-848/13005063 is 1164528-39-5.
What is the molecular formula of AE-848/13005063?
The molecular formula of AE-848/13005063 is C20H17N3O3S.
What is the molecular weight of AE-848/13005063?
The molecular weight of AE-848/13005063 is 379.10 g/mol.
Where can I buy AE-848/13005063?
You can request a quote for AE-848/13005063 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/13005063?
Yes, KEHONG BIO provides custom synthesis services for AE-848/13005063 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.