![Benzothiazol-2-yl-methyl-[1-(4-phenoxy-butyl)-pyrrolidin-3-yl]-amine structure](/static/products/104/104588-44-5.png)
Benzothiazol-2-yl-methyl-[1-(4-phenoxy-butyl)-pyrrolidin-3-yl]-amine
TL;DR: Benzothiazol-2-yl-methyl-[1-(4-phenoxy-butyl)-pyrrolidin-3-yl]-amine (CAS 104588-44-5) is a chemical compound with molecular formula C22H27N3OS and molecular weight 381.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-N-[1-(4-phenoxybutyl)pyrrolidin-3-yl]-1,3-benzothiazol-2-amine
Also Known As: r59494, R-59494, R 59494, N-Methyl-N-[1-(4-phenoxybutyl)-3-pyrrolidinyl]-2-benzothiazolamine, N-methyl-N-[1-(4-phenoxybutyl)pyrrolidin-3-yl]benzothiazol-2-amine
| Molecular Formula | C22H27N3OS |
|---|---|
| Molecular Weight | 381.19 g/mol |
| LogP | 4.666 |
| Topological Polar Surface Area | 28.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 381.18747 |
| Heavy Atoms | 27 |
| Complexity | 817.8999 |
Chemical Identifiers
| CAS Number | 104588-44-5 |
|---|---|
| SMILES | CN(C1CCN(C1)CCCCOC2=CC=CC=C2)C3=NC4=CC=CC=C4S3 |
Product Overview
Benzothiazol-2-yl-methyl-[1-(4-phenoxy-butyl)-pyrrolidin-3-yl]-amine (CAS 104588-44-5), with molecular formula C22H27N3OS and molecular weight 381.19 g/mol. IUPAC: N-methyl-N-[1-(4-phenoxybutyl)pyrrolidin-3-yl]-1,3-benzothiazol-2-amine.
Chemical Property Profile of Benzothiazol-2-yl-methyl-[1-(4-phenoxy-butyl)-pyrrolidin-3-yl]-amine
Property Insights of Benzothiazol-2-yl-methyl-[1-(4-phenoxy-butyl)-pyrrolidin-3-yl]-amine
The XLogP value of 4.666 indicates that Benzothiazol-2-yl-methyl-[1-(4-phenoxy-butyl)-pyrrolidin-3-yl]-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.6 Ų, Benzothiazol-2-yl-methyl-[1-(4-phenoxy-butyl)-pyrrolidin-3-yl]-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazol-2-yl-methyl-[1-(4-phenoxy-butyl)-pyrrolidin-3-yl]-amine has 0 hydrogen bond donor(s) and 5 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 Benzothiazol-2-yl-methyl-[1-(4-phenoxy-butyl)-pyrrolidin-3-yl]-amine?
The CAS number of Benzothiazol-2-yl-methyl-[1-(4-phenoxy-butyl)-pyrrolidin-3-yl]-amine is 104588-44-5.
What is the molecular formula of Benzothiazol-2-yl-methyl-[1-(4-phenoxy-butyl)-pyrrolidin-3-yl]-amine?
The molecular formula of Benzothiazol-2-yl-methyl-[1-(4-phenoxy-butyl)-pyrrolidin-3-yl]-amine is C22H27N3OS.
What is the molecular weight of Benzothiazol-2-yl-methyl-[1-(4-phenoxy-butyl)-pyrrolidin-3-yl]-amine?
The molecular weight of Benzothiazol-2-yl-methyl-[1-(4-phenoxy-butyl)-pyrrolidin-3-yl]-amine is 381.19 g/mol.
Where can I buy Benzothiazol-2-yl-methyl-[1-(4-phenoxy-butyl)-pyrrolidin-3-yl]-amine?
You can request a quote for Benzothiazol-2-yl-methyl-[1-(4-phenoxy-butyl)-pyrrolidin-3-yl]-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazol-2-yl-methyl-[1-(4-phenoxy-butyl)-pyrrolidin-3-yl]-amine?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazol-2-yl-methyl-[1-(4-phenoxy-butyl)-pyrrolidin-3-yl]-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.