氯化吡维铵
TL;DR: 氯化吡维铵 (CAS 548-84-5) is a chemical compound with molecular formula C26H28ClN3 and molecular weight 417.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯化吡维铵
2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-N,N,1-trimethylquinolin-1-ium-6-amine chloride
Also Known As: Pyrvinium chloride, 6-(Dimethylamino)-2-[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethen-1-yl]-1-methylquinolin-1-ium chloride
| Molecular Formula | C26H28ClN3 |
|---|---|
| Molecular Weight | 417.20 g/mol |
| LogP | 2.31 |
| Topological Polar Surface Area | 12.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.19717 |
| Heavy Atoms | 30 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 548-84-5 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC=C2)C)C=CC3=[N+](C4=C(C=C3)C=C(C=C4)N(C)C)C.[Cl-] |
| InChIKey | IKUGNXPCGVYRHO-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯化吡维铵 (CAS 548-84-5), with molecular formula C26H28ClN3 and molecular weight 417.20 g/mol. IUPAC: 2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-N,N,1-trimethylquinolin-1-ium-6-amine chloride.
Chemical Property Profile of 氯化吡维铵
Property Insights of 氯化吡维铵
The XLogP value of 2.31 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯化吡维铵. With a topological polar surface area (TPSA) of 12.1 Ų, 氯化吡维铵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯化吡维铵 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 氯化吡维铵?
The CAS number of 氯化吡维铵 is 548-84-5.
What is the molecular formula of 氯化吡维铵?
The molecular formula of 氯化吡维铵 is C26H28ClN3.
What is the molecular weight of 氯化吡维铵?
The molecular weight of 氯化吡维铵 is 417.20 g/mol.
Where can I buy 氯化吡维铵?
You can request a quote for 氯化吡维铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯化吡维铵?
Yes, KEHONG BIO provides custom synthesis services for 氯化吡维铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.