RefChem:90159
TL;DR: RefChem:90159 (CAS 65719-14-4) is a chemical compound with molecular formula C16H23IN2 and molecular weight 370.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(1-ethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]-N,N-dimethylaniline iodide
Also Known As: 2H-Pyrrolium, 5-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-3,4-dihydro-, iodide, 2H-Pyrrolium, 5-(2-(4-(dimethylamino)phenyl)ethenyl)-1-ethyl-3,4-dihydro-, iodide, 2H-Pyrrolium, 5-(2-(4-(dimethylamino)phenyl)ethenyl)-1-ethyl-3,4-dihydro-, iodide (1:1), 2H-Pyrrolium, 5-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-3,4-dihydro-, iodide (1:1), 5-(2-(4-(Dimethylamino)phenyl)ethenyl)-1-ethyl-3,4-dihydro-2H-pyrrolium iodide
| Molecular Formula | C16H23IN2 |
|---|---|
| Molecular Weight | 370.09 g/mol |
| LogP | 0.04 |
| Topological Polar Surface Area | 6.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.0906 |
| Heavy Atoms | 19 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 65719-14-4 |
|---|---|
| SMILES | CC[N+]1=C(CCC1)C=CC2=CC=C(C=C2)N(C)C.[I-] |
| InChIKey | XRMXHHNAEPWWSJ-UHFFFAOYSA-M |
Product Overview
RefChem:90159 (CAS 65719-14-4), with molecular formula C16H23IN2 and molecular weight 370.09 g/mol. IUPAC: 4-[2-(1-ethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]-N,N-dimethylaniline iodide.
Chemical Property Profile of RefChem:90159
Property Insights of RefChem:90159
The XLogP value of 0.04 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:90159. With a topological polar surface area (TPSA) of 6.3 Ų, RefChem:90159 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:90159 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 RefChem:90159?
The CAS number of RefChem:90159 is 65719-14-4.
What is the molecular formula of RefChem:90159?
The molecular formula of RefChem:90159 is C16H23IN2.
What is the molecular weight of RefChem:90159?
The molecular weight of RefChem:90159 is 370.09 g/mol.
Where can I buy RefChem:90159?
You can request a quote for RefChem:90159 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:90159?
Yes, KEHONG BIO provides custom synthesis services for RefChem:90159 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.