N1-Acetyl-5-methoxykynuramine
TL;DR: N1-Acetyl-5-methoxykynuramine (CAS 20895-16-3) is a chemical compound with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(2-amino-5-methoxyphenyl)-3-oxopropyl]acetamide
Also Known As: AMK kynuramine CPD, AMKA, KINURENAMINE, N-Acetyl-5-methoxy kynurenamine, Melatonin Impurity 1
| Molecular Formula | C12H16N2O3 |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.11609 |
| Heavy Atoms | 17 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 20895-16-3 |
|---|---|
| SMILES | CC(=O)NCCC(=O)C1=C(C=CC(=C1)OC)N |
| InChIKey | RJQIZOKNUKRKTP-UHFFFAOYSA-N |
Product Overview
N1-Acetyl-5-methoxykynuramine (CAS 20895-16-3), with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol. IUPAC: N-[3-(2-amino-5-methoxyphenyl)-3-oxopropyl]acetamide.
Chemical Property Profile of N1-Acetyl-5-methoxykynuramine
Property Insights of N1-Acetyl-5-methoxykynuramine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N1-Acetyl-5-methoxykynuramine. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N1-Acetyl-5-methoxykynuramine. Following Lipinski's Rule of Five, N1-Acetyl-5-methoxykynuramine has 2 hydrogen bond donor(s) and 4 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 N1-Acetyl-5-methoxykynuramine?
The CAS number of N1-Acetyl-5-methoxykynuramine is 20895-16-3.
What is the molecular formula of N1-Acetyl-5-methoxykynuramine?
The molecular formula of N1-Acetyl-5-methoxykynuramine is C12H16N2O3.
What is the molecular weight of N1-Acetyl-5-methoxykynuramine?
The molecular weight of N1-Acetyl-5-methoxykynuramine is 236.12 g/mol.
Where can I buy N1-Acetyl-5-methoxykynuramine?
You can request a quote for N1-Acetyl-5-methoxykynuramine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1-Acetyl-5-methoxykynuramine?
Yes, KEHONG BIO provides custom synthesis services for N1-Acetyl-5-methoxykynuramine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.