Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, trans-
TL;DR: Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, trans- (CAS 123993-98-6) is a chemical compound with molecular formula C22H37NO2S and molecular weight 379.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,5R)-2-butyl-5-heptyl-1-(4-methylphenyl)sulfonylpyrrolidine
Also Known As: Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, trans-, (2R)-1-Tosyl-2alpha-butyl-5beta-heptylpyrrolidine, (2R,5R)-2-butyl-5-heptyl-1-(4-methylphenyl)sulfonylpyrrolidine, Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, cis-, (2R)-1-(4-Methylphenylsulfonyl)-2alpha-butyl-5beta-heptylpyrrolidine
| Molecular Formula | C22H37NO2S |
|---|---|
| Molecular Weight | 379.25 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 379.2545 |
| Heavy Atoms | 26 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 123993-98-6 |
|---|---|
| SMILES | CCCCCCC[C@@H]1CC[C@H](N1S(=O)(=O)C2=CC=C(C=C2)C)CCCC |
| InChIKey | YQHCNOZPXMUGOX-NHCUHLMSSA-N |
Product Overview
Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, trans- (CAS 123993-98-6), with molecular formula C22H37NO2S and molecular weight 379.25 g/mol. IUPAC: (2R,5R)-2-butyl-5-heptyl-1-(4-methylphenyl)sulfonylpyrrolidine.
Chemical Property Profile of Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, trans-
Property Insights of Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, trans-
The XLogP value of 7.3 indicates that Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, trans- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, trans- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, trans-?
The CAS number of Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, trans- is 123993-98-6.
What is the molecular formula of Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, trans-?
The molecular formula of Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, trans- is C22H37NO2S.
What is the molecular weight of Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, trans-?
The molecular weight of Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, trans- is 379.25 g/mol.
Where can I buy Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, trans-?
You can request a quote for Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, trans- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, trans-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.