![1-[2-(Phenylsulfanyl)benzyl]pyrrolidine structure](/static/products/127/127876-53-3.png)
1-[2-(Phenylsulfanyl)benzyl]pyrrolidine
TL;DR: 1-[2-(Phenylsulfanyl)benzyl]pyrrolidine (CAS 127876-53-3) is a chemical compound with molecular formula C17H19NS and molecular weight 269.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-phenylsulfanylphenyl)methyl]pyrrolidine
Also Known As: 1-[2-(phenylsulfanyl)benzyl]pyrrolidine, 1-[(2-phenylsulfanylphenyl)methyl]pyrrolidine, AE-641/30109013
| Molecular Formula | C17H19NS |
|---|---|
| Molecular Weight | 269.12 g/mol |
| LogP | 4.4336 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.1238 |
| Heavy Atoms | 19 |
| Complexity | 517.7951 |
Chemical Identifiers
| CAS Number | 127876-53-3 |
|---|---|
| SMILES | C1CCN(C1)CC2=CC=CC=C2SC3=CC=CC=C3 |
Product Overview
1-[2-(Phenylsulfanyl)benzyl]pyrrolidine (CAS 127876-53-3), with molecular formula C17H19NS and molecular weight 269.12 g/mol. IUPAC: 1-[(2-phenylsulfanylphenyl)methyl]pyrrolidine.
Chemical Property Profile of 1-[2-(Phenylsulfanyl)benzyl]pyrrolidine
Property Insights of 1-[2-(Phenylsulfanyl)benzyl]pyrrolidine
The XLogP value of 4.4336 indicates that 1-[2-(Phenylsulfanyl)benzyl]pyrrolidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, 1-[2-(Phenylsulfanyl)benzyl]pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-(Phenylsulfanyl)benzyl]pyrrolidine 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 1-[2-(Phenylsulfanyl)benzyl]pyrrolidine?
The CAS number of 1-[2-(Phenylsulfanyl)benzyl]pyrrolidine is 127876-53-3.
What is the molecular formula of 1-[2-(Phenylsulfanyl)benzyl]pyrrolidine?
The molecular formula of 1-[2-(Phenylsulfanyl)benzyl]pyrrolidine is C17H19NS.
What is the molecular weight of 1-[2-(Phenylsulfanyl)benzyl]pyrrolidine?
The molecular weight of 1-[2-(Phenylsulfanyl)benzyl]pyrrolidine is 269.12 g/mol.
Where can I buy 1-[2-(Phenylsulfanyl)benzyl]pyrrolidine?
You can request a quote for 1-[2-(Phenylsulfanyl)benzyl]pyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-(Phenylsulfanyl)benzyl]pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(Phenylsulfanyl)benzyl]pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.