ML021 Analog
TL;DR: ML021 Analog (CAS 1808982-76-4) is a chemical compound with molecular formula C15H16N2O and molecular weight 240.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4-[(E)-2-(1-oxidopyridin-1-ium-2-yl)ethenyl]aniline
Also Known As: ML021 Analog, (E)-2-(4-(dimethylamino)styryl)pyridine 1-oxide, N,N-dimethyl-4-[(E)-2-(1-oxidopyridin-2-yl)ethenyl]aniline, Dimethyl-{4-[(E)-2-(1-oxy-pyridin-2-yl)-vinyl]-phenyl}-amine, N,N-dimethyl-4-[(E)-2-(1-oxidopyridin-1-ium-2-yl)ethenyl]aniline
| Molecular Formula | C15H16N2O |
|---|---|
| Molecular Weight | 240.13 g/mol |
| LogP | 2.5564 |
| Topological Polar Surface Area | 30.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.12627 |
| Heavy Atoms | 18 |
| Complexity | 544.675 |
Chemical Identifiers
| CAS Number | 1808982-76-4 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=C/C2=CC=CC=[N+]2[O-] |
Product Overview
ML021 Analog (CAS 1808982-76-4), with molecular formula C15H16N2O and molecular weight 240.13 g/mol. IUPAC: N,N-dimethyl-4-[(E)-2-(1-oxidopyridin-1-ium-2-yl)ethenyl]aniline.
Chemical Property Profile of ML021 Analog
Property Insights of ML021 Analog
The XLogP value of 2.5564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ML021 Analog. With a topological polar surface area (TPSA) of 30.18 Ų, ML021 Analog exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ML021 Analog has 0 hydrogen bond donor(s) and 2 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 ML021 Analog?
The CAS number of ML021 Analog is 1808982-76-4.
What is the molecular formula of ML021 Analog?
The molecular formula of ML021 Analog is C15H16N2O.
What is the molecular weight of ML021 Analog?
The molecular weight of ML021 Analog is 240.13 g/mol.
Where can I buy ML021 Analog?
You can request a quote for ML021 Analog directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ML021 Analog?
Yes, KEHONG BIO provides custom synthesis services for ML021 Analog and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.