![1-[2-({2-Cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl}oxy)ethyl]pyridin-1-ium structure](/static/products/7730/773000-46-7.webp)
1-[2-({2-Cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl}oxy)ethyl]pyridin-1-ium
TL;DR: 1-[2-({2-Cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl}oxy)ethyl]pyridin-1-ium (CAS 773000-46-7) is a chemical compound with molecular formula C19H20N3O2+ and molecular weight 322.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyridin-1-ium-1-ylethyl 2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoate
Also Known As: 1-[2-({2-Cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl}oxy)ethyl]pyridin-1-ium, 1-[2-[[2-Cyano-3-[4-(dimethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]ethyl]pyridinium
| Molecular Formula | C19H20N3O2+ |
|---|---|
| Molecular Weight | 322.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 322.15555 |
| Heavy Atoms | 24 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 773000-46-7 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C=C(C#N)C(=O)OCC[N+]2=CC=CC=C2 |
| InChIKey | ZISOSDDPAIXRDS-UHFFFAOYSA-N |
Product Overview
1-[2-({2-Cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl}oxy)ethyl]pyridin-1-ium (CAS 773000-46-7), with molecular formula C19H20N3O2+ and molecular weight 322.16 g/mol. IUPAC: 2-pyridin-1-ium-1-ylethyl 2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoate.
Chemical Property Profile of 1-[2-({2-Cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl}oxy)ethyl]pyridin-1-ium
Property Insights of 1-[2-({2-Cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl}oxy)ethyl]pyridin-1-ium
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-({2-Cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl}oxy)ethyl]pyridin-1-ium. With a topological polar surface area (TPSA) of 57.2 Ų, 1-[2-({2-Cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl}oxy)ethyl]pyridin-1-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-({2-Cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl}oxy)ethyl]pyridin-1-ium has 0 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 1-[2-({2-Cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl}oxy)ethyl]pyridin-1-ium?
The CAS number of 1-[2-({2-Cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl}oxy)ethyl]pyridin-1-ium is 773000-46-7.
What is the molecular formula of 1-[2-({2-Cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl}oxy)ethyl]pyridin-1-ium?
The molecular formula of 1-[2-({2-Cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl}oxy)ethyl]pyridin-1-ium is C19H20N3O2+.
What is the molecular weight of 1-[2-({2-Cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl}oxy)ethyl]pyridin-1-ium?
The molecular weight of 1-[2-({2-Cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl}oxy)ethyl]pyridin-1-ium is 322.16 g/mol.
Where can I buy 1-[2-({2-Cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl}oxy)ethyl]pyridin-1-ium?
You can request a quote for 1-[2-({2-Cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl}oxy)ethyl]pyridin-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-({2-Cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl}oxy)ethyl]pyridin-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-({2-Cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl}oxy)ethyl]pyridin-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.