Pyrrolidine, 2-butyl-1-((4-methylphenyl)sulfonyl)-5-propyl-, trans-
TL;DR: Pyrrolidine, 2-butyl-1-((4-methylphenyl)sulfonyl)-5-propyl-, trans- (CAS 123993-99-7) is a chemical compound with molecular formula C18H29NO2S and molecular weight 323.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,5R)-2-butyl-1-(4-methylphenyl)sulfonyl-5-propylpyrrolidine
Also Known As: Pyrrolidine, 2-butyl-1-((4-methylphenyl)sulfonyl)-5-propyl-, trans-, (2R,5R)-2-butyl-1-(4-methylphenyl)sulfonyl-5-propylpyrrolidine, (2R)-1-(4-Methylphenylsulfonyl)-2alpha-propyl-5beta-butylpyrrolidine, (2R,5R)-2-Butyl-1-(4-methylbenzene-1-sulfonyl)-5-propylpyrrolidine, (2R,5R)-2-BUTYL-1-(4-METHYLBENZENESULFONYL)-5-PROPYLPYRROLIDINE
| Molecular Formula | C18H29NO2S |
|---|---|
| Molecular Weight | 323.19 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 323.1919 |
| Heavy Atoms | 22 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 123993-99-7 |
|---|---|
| SMILES | CCCC[C@@H]1CC[C@H](N1S(=O)(=O)C2=CC=C(C=C2)C)CCC |
| InChIKey | XNOXYPYRNPDLHX-IAGOWNOFSA-N |
Product Overview
Pyrrolidine, 2-butyl-1-((4-methylphenyl)sulfonyl)-5-propyl-, trans- (CAS 123993-99-7), with molecular formula C18H29NO2S and molecular weight 323.19 g/mol. IUPAC: (2R,5R)-2-butyl-1-(4-methylphenyl)sulfonyl-5-propylpyrrolidine.
Chemical Property Profile of Pyrrolidine, 2-butyl-1-((4-methylphenyl)sulfonyl)-5-propyl-, trans-
Property Insights of Pyrrolidine, 2-butyl-1-((4-methylphenyl)sulfonyl)-5-propyl-, trans-
The XLogP value of 5.1 indicates that Pyrrolidine, 2-butyl-1-((4-methylphenyl)sulfonyl)-5-propyl-, 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-1-((4-methylphenyl)sulfonyl)-5-propyl-, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidine, 2-butyl-1-((4-methylphenyl)sulfonyl)-5-propyl-, 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-1-((4-methylphenyl)sulfonyl)-5-propyl-, trans-?
The CAS number of Pyrrolidine, 2-butyl-1-((4-methylphenyl)sulfonyl)-5-propyl-, trans- is 123993-99-7.
What is the molecular formula of Pyrrolidine, 2-butyl-1-((4-methylphenyl)sulfonyl)-5-propyl-, trans-?
The molecular formula of Pyrrolidine, 2-butyl-1-((4-methylphenyl)sulfonyl)-5-propyl-, trans- is C18H29NO2S.
What is the molecular weight of Pyrrolidine, 2-butyl-1-((4-methylphenyl)sulfonyl)-5-propyl-, trans-?
The molecular weight of Pyrrolidine, 2-butyl-1-((4-methylphenyl)sulfonyl)-5-propyl-, trans- is 323.19 g/mol.
Where can I buy Pyrrolidine, 2-butyl-1-((4-methylphenyl)sulfonyl)-5-propyl-, trans-?
You can request a quote for Pyrrolidine, 2-butyl-1-((4-methylphenyl)sulfonyl)-5-propyl-, 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-1-((4-methylphenyl)sulfonyl)-5-propyl-, trans-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidine, 2-butyl-1-((4-methylphenyl)sulfonyl)-5-propyl-, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.