![3-[1-[(2-chlorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]pyridine; thiocyanic acid structure](/static/products/6939/6939-82-8.webp)
3-[1-[(2-chlorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]pyridine; thiocyanic acid
TL;DR: 3-[1-[(2-chlorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]pyridine; thiocyanic acid (CAS 6939-82-8) is a chemical compound with molecular formula C18H21ClN3S+ and molecular weight 346.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-[(2-chlorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]pyridine;thiocyanic acid
Also Known As: 3-[1-[(2-chlorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]pyridine; thiocyanic acid, 3-[1-[(2-chlorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]pyridine;thiocyanic acid
| Molecular Formula | C18H21ClN3S+ |
|---|---|
| Molecular Weight | 346.11 g/mol |
| LogP | 4.61398 |
| Topological Polar Surface Area | 37.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.11447 |
| Heavy Atoms | 23 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 6939-82-8 |
|---|---|
| SMILES | C[N+]1(CCCC1C2=CN=CC=C2)CC3=CC=CC=C3Cl.C(#N)S |
| InChIKey | NFMSTMNYROQDBT-UHFFFAOYSA-N |
Product Overview
3-[1-[(2-chlorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]pyridine; thiocyanic acid (CAS 6939-82-8), with molecular formula C18H21ClN3S+ and molecular weight 346.11 g/mol. IUPAC: 3-[1-[(2-chlorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]pyridine;thiocyanic acid.
Chemical Property Profile of 3-[1-[(2-chlorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]pyridine; thiocyanic acid
Property Insights of 3-[1-[(2-chlorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]pyridine; thiocyanic acid
The XLogP value of 4.61398 indicates that 3-[1-[(2-chlorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]pyridine; thiocyanic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.7 Ų, 3-[1-[(2-chlorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]pyridine; thiocyanic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[1-[(2-chlorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]pyridine; thiocyanic acid 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 3-[1-[(2-chlorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]pyridine; thiocyanic acid?
The CAS number of 3-[1-[(2-chlorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]pyridine; thiocyanic acid is 6939-82-8.
What is the molecular formula of 3-[1-[(2-chlorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]pyridine; thiocyanic acid?
The molecular formula of 3-[1-[(2-chlorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]pyridine; thiocyanic acid is C18H21ClN3S+.
What is the molecular weight of 3-[1-[(2-chlorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]pyridine; thiocyanic acid?
The molecular weight of 3-[1-[(2-chlorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]pyridine; thiocyanic acid is 346.11 g/mol.
Where can I buy 3-[1-[(2-chlorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]pyridine; thiocyanic acid?
You can request a quote for 3-[1-[(2-chlorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]pyridine; thiocyanic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[1-[(2-chlorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]pyridine; thiocyanic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-[(2-chlorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]pyridine; thiocyanic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.