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1-[(2-Methyl-5-nitrobenzene)sulfonyl]pyrrolidine
TL;DR: 1-[(2-Methyl-5-nitrobenzene)sulfonyl]pyrrolidine (CAS 473476-89-0) is a chemical compound with molecular formula C11H14N2O4S and molecular weight 270.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methyl-5-nitrophenyl)sulfonylpyrrolidine
Also Known As: 1-[(2-Methyl-5-nitrobenzene)sulfonyl]pyrrolidine, 1-(2-methyl-5-nitrophenyl)sulfonylpyrrolidine, 1-(2-methyl-5-nitrobenzenesulfonyl)pyrrolidine, 1-(2-Methyl-5-nitro-benzenesulfonyl)-pyrrolidine, 1-[(2-methyl-5-nitrophenyl)sulfonyl]pyrrolidine
| Molecular Formula | C11H14N2O4S |
|---|---|
| Molecular Weight | 270.07 g/mol |
| LogP | 1.68772 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.0674 |
| Heavy Atoms | 18 |
| Complexity | 576.70605 |
Chemical Identifiers
| CAS Number | 473476-89-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC2 |
Product Overview
1-[(2-Methyl-5-nitrobenzene)sulfonyl]pyrrolidine (CAS 473476-89-0), with molecular formula C11H14N2O4S and molecular weight 270.07 g/mol. IUPAC: 1-(2-methyl-5-nitrophenyl)sulfonylpyrrolidine.
Chemical Property Profile of 1-[(2-Methyl-5-nitrobenzene)sulfonyl]pyrrolidine
Property Insights of 1-[(2-Methyl-5-nitrobenzene)sulfonyl]pyrrolidine
The XLogP value of 1.68772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2-Methyl-5-nitrobenzene)sulfonyl]pyrrolidine. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2-Methyl-5-nitrobenzene)sulfonyl]pyrrolidine. Following Lipinski's Rule of Five, 1-[(2-Methyl-5-nitrobenzene)sulfonyl]pyrrolidine has 0 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 1-[(2-Methyl-5-nitrobenzene)sulfonyl]pyrrolidine?
The CAS number of 1-[(2-Methyl-5-nitrobenzene)sulfonyl]pyrrolidine is 473476-89-0.
What is the molecular formula of 1-[(2-Methyl-5-nitrobenzene)sulfonyl]pyrrolidine?
The molecular formula of 1-[(2-Methyl-5-nitrobenzene)sulfonyl]pyrrolidine is C11H14N2O4S.
What is the molecular weight of 1-[(2-Methyl-5-nitrobenzene)sulfonyl]pyrrolidine?
The molecular weight of 1-[(2-Methyl-5-nitrobenzene)sulfonyl]pyrrolidine is 270.07 g/mol.
Where can I buy 1-[(2-Methyl-5-nitrobenzene)sulfonyl]pyrrolidine?
You can request a quote for 1-[(2-Methyl-5-nitrobenzene)sulfonyl]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-Methyl-5-nitrobenzene)sulfonyl]pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2-Methyl-5-nitrobenzene)sulfonyl]pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.