1-(4-Methyl-3-nitro-benzenesulfonyl)-pyrrolidine
TL;DR: 1-(4-Methyl-3-nitro-benzenesulfonyl)-pyrrolidine (CAS 346689-92-7) 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-(4-methyl-3-nitrophenyl)sulfonylpyrrolidine
Also Known As: BAS 00500647, 1-(4-Methyl-3-nitro-benzenesulfonyl)-pyrrolidine, 1-(4-methyl-3-nitrophenyl)sulfonylpyrrolidine, 1-(4-methyl-3-nitrophenylsulfonyl)pyrrolidine, BIM-0018534.P001
| 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 | 346689-92-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-] |
Product Overview
1-(4-Methyl-3-nitro-benzenesulfonyl)-pyrrolidine (CAS 346689-92-7), with molecular formula C11H14N2O4S and molecular weight 270.07 g/mol. IUPAC: 1-(4-methyl-3-nitrophenyl)sulfonylpyrrolidine.
Chemical Property Profile of 1-(4-Methyl-3-nitro-benzenesulfonyl)-pyrrolidine
Property Insights of 1-(4-Methyl-3-nitro-benzenesulfonyl)-pyrrolidine
The XLogP value of 1.68772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methyl-3-nitro-benzenesulfonyl)-pyrrolidine. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methyl-3-nitro-benzenesulfonyl)-pyrrolidine. Following Lipinski's Rule of Five, 1-(4-Methyl-3-nitro-benzenesulfonyl)-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-(4-Methyl-3-nitro-benzenesulfonyl)-pyrrolidine?
The CAS number of 1-(4-Methyl-3-nitro-benzenesulfonyl)-pyrrolidine is 346689-92-7.
What is the molecular formula of 1-(4-Methyl-3-nitro-benzenesulfonyl)-pyrrolidine?
The molecular formula of 1-(4-Methyl-3-nitro-benzenesulfonyl)-pyrrolidine is C11H14N2O4S.
What is the molecular weight of 1-(4-Methyl-3-nitro-benzenesulfonyl)-pyrrolidine?
The molecular weight of 1-(4-Methyl-3-nitro-benzenesulfonyl)-pyrrolidine is 270.07 g/mol.
Where can I buy 1-(4-Methyl-3-nitro-benzenesulfonyl)-pyrrolidine?
You can request a quote for 1-(4-Methyl-3-nitro-benzenesulfonyl)-pyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methyl-3-nitro-benzenesulfonyl)-pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methyl-3-nitro-benzenesulfonyl)-pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.