Pyrrolidine, 1-(3-phenyl-3-(phenylthio)propyl)-, oxalate
TL;DR: Pyrrolidine, 1-(3-phenyl-3-(phenylthio)propyl)-, oxalate (CAS 99507-49-0) is a chemical compound with molecular formula C21H25NO4S and molecular weight 387.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;1-(3-phenyl-3-phenylsulfanylpropyl)pyrrolidine
Also Known As: Pyrrolidine, 1-(3-phenyl-3-(phenylthio)propyl)-, oxalate, 1-(3-Phenyl-3-(phenylthio)propyl)pyrrolidine oxalate, Pyrrolidine, 1-(3-phenyl-3-(phenylthio)propyl)-, ethanedioate (1:1), oxalic acid; 1-(3-phenyl-3-phenylsulfanylpropyl)pyrrolidine, Oxalic acid--1-[3-phenyl-3-(phenylsulfanyl)propyl]pyrrolidine (1/1)
| Molecular Formula | C21H25NO4S |
|---|---|
| Molecular Weight | 387.15 g/mol |
| LogP | 4.1615 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.15042 |
| Heavy Atoms | 27 |
| Complexity | 690.6362 |
Chemical Identifiers
| CAS Number | 99507-49-0 |
|---|---|
| SMILES | C1CCN(C1)CCC(C2=CC=CC=C2)SC3=CC=CC=C3.C(=O)(C(=O)O)O |
Product Overview
Pyrrolidine, 1-(3-phenyl-3-(phenylthio)propyl)-, oxalate (CAS 99507-49-0), with molecular formula C21H25NO4S and molecular weight 387.15 g/mol. IUPAC: oxalic acid;1-(3-phenyl-3-phenylsulfanylpropyl)pyrrolidine.
Chemical Property Profile of Pyrrolidine, 1-(3-phenyl-3-(phenylthio)propyl)-, oxalate
Property Insights of Pyrrolidine, 1-(3-phenyl-3-(phenylthio)propyl)-, oxalate
The XLogP value of 4.1615 indicates that Pyrrolidine, 1-(3-phenyl-3-(phenylthio)propyl)-, oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrolidine, 1-(3-phenyl-3-(phenylthio)propyl)-, oxalate. Following Lipinski's Rule of Five, Pyrrolidine, 1-(3-phenyl-3-(phenylthio)propyl)-, oxalate has 2 hydrogen bond donor(s) and 4 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 Pyrrolidine, 1-(3-phenyl-3-(phenylthio)propyl)-, oxalate?
The CAS number of Pyrrolidine, 1-(3-phenyl-3-(phenylthio)propyl)-, oxalate is 99507-49-0.
What is the molecular formula of Pyrrolidine, 1-(3-phenyl-3-(phenylthio)propyl)-, oxalate?
The molecular formula of Pyrrolidine, 1-(3-phenyl-3-(phenylthio)propyl)-, oxalate is C21H25NO4S.
What is the molecular weight of Pyrrolidine, 1-(3-phenyl-3-(phenylthio)propyl)-, oxalate?
The molecular weight of Pyrrolidine, 1-(3-phenyl-3-(phenylthio)propyl)-, oxalate is 387.15 g/mol.
Where can I buy Pyrrolidine, 1-(3-phenyl-3-(phenylthio)propyl)-, oxalate?
You can request a quote for Pyrrolidine, 1-(3-phenyl-3-(phenylthio)propyl)-, oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidine, 1-(3-phenyl-3-(phenylthio)propyl)-, oxalate?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidine, 1-(3-phenyl-3-(phenylthio)propyl)-, oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.