RefChem:177684
TL;DR: RefChem:177684 (CAS 77769-98-3) is a chemical compound with molecular formula C24H27ClN2O and molecular weight 394.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-[4-[benzyl(ethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethanol chloride
Also Known As: 4-[2-[4-[benzyl amino]phenyl]vinyl]-1- pyridiniumchloride, Pyridinium, 4-[2-[4-[ethyl(phenylmethyl)amino]phenyl]ethenyl]-1-(2-hydroxyethyl)-, chloride (1:1), 2-[4-[(E)-2-[4-(benzyl-ethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethanol chloride, 4-(2-{4-[Benzyl(ethyl)amino]phenyl}ethen-1-yl)-1-(2-hydroxyethyl)pyridin-1-ium chloride, 4-[2-[4-[benzyl(ethyl)amino]phenyl]vinyl]-1-(2-hydroxyethyl)pyridinium chloride
| Molecular Formula | C24H27ClN2O |
|---|---|
| Molecular Weight | 394.18 g/mol |
| LogP | 1.1673 |
| Topological Polar Surface Area | 27.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 394.18118 |
| Heavy Atoms | 28 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 77769-98-3 |
|---|---|
| SMILES | CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C=CC3=CC=[N+](C=C3)CCO.[Cl-] |
| InChIKey | HWXYWDWTXBHFJQ-UHFFFAOYSA-M |
Product Overview
RefChem:177684 (CAS 77769-98-3), with molecular formula C24H27ClN2O and molecular weight 394.18 g/mol. IUPAC: 2-[4-[2-[4-[benzyl(ethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethanol chloride.
Chemical Property Profile of RefChem:177684
Property Insights of RefChem:177684
The XLogP value of 1.1673 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:177684. With a topological polar surface area (TPSA) of 27.4 Ų, RefChem:177684 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:177684 has 1 hydrogen bond donor(s) and 3 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 RefChem:177684?
The CAS number of RefChem:177684 is 77769-98-3.
What is the molecular formula of RefChem:177684?
The molecular formula of RefChem:177684 is C24H27ClN2O.
What is the molecular weight of RefChem:177684?
The molecular weight of RefChem:177684 is 394.18 g/mol.
Where can I buy RefChem:177684?
You can request a quote for RefChem:177684 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:177684?
Yes, KEHONG BIO provides custom synthesis services for RefChem:177684 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.