Pyrrolidine, 2,5-dimethyl-1-((4-methylphenyl)sulfonyl)-, cis-
TL;DR: Pyrrolidine, 2,5-dimethyl-1-((4-methylphenyl)sulfonyl)-, cis- (CAS 81330-01-0) is a chemical compound with molecular formula C13H19NO2S and molecular weight 253.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R)-2,5-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine
Also Known As: 2beta,5beta-Dimethyl-1-tosylpyrrolidine, Pyrrolidine, 2,5-dimethyl-1-((4-methylphenyl)sulfonyl)-, cis-, (2R,5S)-2,5-dimethyl-1-(4-methylbenzenesulfonyl)pyrrolidine, (2R,5S)-2,5-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine, (2R,5S)-2,5-Dimethyl-1-(4-methylbenzene-1-sulfonyl)pyrrolidine
| Molecular Formula | C13H19NO2S |
|---|---|
| Molecular Weight | 253.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.11365 |
| Heavy Atoms | 17 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 81330-01-0 |
|---|---|
| SMILES | C[C@@H]1CC[C@@H](N1S(=O)(=O)C2=CC=C(C=C2)C)C |
| InChIKey | MNIJNFNCRLFBAR-TXEJJXNPSA-N |
Product Overview
Pyrrolidine, 2,5-dimethyl-1-((4-methylphenyl)sulfonyl)-, cis- (CAS 81330-01-0), with molecular formula C13H19NO2S and molecular weight 253.11 g/mol. IUPAC: (2S,5R)-2,5-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine.
Chemical Property Profile of Pyrrolidine, 2,5-dimethyl-1-((4-methylphenyl)sulfonyl)-, cis-
Property Insights of Pyrrolidine, 2,5-dimethyl-1-((4-methylphenyl)sulfonyl)-, cis-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolidine, 2,5-dimethyl-1-((4-methylphenyl)sulfonyl)-, cis-. With a topological polar surface area (TPSA) of 45.8 Ų, Pyrrolidine, 2,5-dimethyl-1-((4-methylphenyl)sulfonyl)-, cis- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidine, 2,5-dimethyl-1-((4-methylphenyl)sulfonyl)-, cis- has 0 hydrogen bond donor(s) and 3 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, 2,5-dimethyl-1-((4-methylphenyl)sulfonyl)-, cis-?
The CAS number of Pyrrolidine, 2,5-dimethyl-1-((4-methylphenyl)sulfonyl)-, cis- is 81330-01-0.
What is the molecular formula of Pyrrolidine, 2,5-dimethyl-1-((4-methylphenyl)sulfonyl)-, cis-?
The molecular formula of Pyrrolidine, 2,5-dimethyl-1-((4-methylphenyl)sulfonyl)-, cis- is C13H19NO2S.
What is the molecular weight of Pyrrolidine, 2,5-dimethyl-1-((4-methylphenyl)sulfonyl)-, cis-?
The molecular weight of Pyrrolidine, 2,5-dimethyl-1-((4-methylphenyl)sulfonyl)-, cis- is 253.11 g/mol.
Where can I buy Pyrrolidine, 2,5-dimethyl-1-((4-methylphenyl)sulfonyl)-, cis-?
You can request a quote for Pyrrolidine, 2,5-dimethyl-1-((4-methylphenyl)sulfonyl)-, cis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidine, 2,5-dimethyl-1-((4-methylphenyl)sulfonyl)-, cis-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidine, 2,5-dimethyl-1-((4-methylphenyl)sulfonyl)-, cis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.