1-Methyl-1-nitropropyl P-tolyl sulfone
TL;DR: 1-Methyl-1-nitropropyl P-tolyl sulfone (CAS 41774-09-8) is a chemical compound with molecular formula C11H15NO4S and molecular weight 257.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(2-nitrobutan-2-ylsulfonyl)benzene
Also Known As: 1-METHYL-1-NITROPROPYL P-TOLYL SULFONE, 1-methyl-4-(2-nitrobutan-2-ylsulfonyl)benzene, 660-000-7, RefChem:433706
| Molecular Formula | C11H15NO4S |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 2.17162 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.07217 |
| Heavy Atoms | 17 |
| Complexity | 520.90735 |
Chemical Identifiers
| CAS Number | 41774-09-8 |
|---|---|
| SMILES | CCC(C)([N+](=O)[O-])S(=O)(=O)C1=CC=C(C=C1)C |
Product Overview
1-Methyl-1-nitropropyl P-tolyl sulfone (CAS 41774-09-8), with molecular formula C11H15NO4S and molecular weight 257.07 g/mol. IUPAC: 1-methyl-4-(2-nitrobutan-2-ylsulfonyl)benzene.
Chemical Property Profile of 1-Methyl-1-nitropropyl P-tolyl sulfone
Property Insights of 1-Methyl-1-nitropropyl P-tolyl sulfone
The XLogP value of 2.17162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-1-nitropropyl P-tolyl sulfone. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-1-nitropropyl P-tolyl sulfone. Following Lipinski's Rule of Five, 1-Methyl-1-nitropropyl P-tolyl sulfone 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-Methyl-1-nitropropyl P-tolyl sulfone?
The CAS number of 1-Methyl-1-nitropropyl P-tolyl sulfone is 41774-09-8.
What is the molecular formula of 1-Methyl-1-nitropropyl P-tolyl sulfone?
The molecular formula of 1-Methyl-1-nitropropyl P-tolyl sulfone is C11H15NO4S.
What is the molecular weight of 1-Methyl-1-nitropropyl P-tolyl sulfone?
The molecular weight of 1-Methyl-1-nitropropyl P-tolyl sulfone is 257.07 g/mol.
Where can I buy 1-Methyl-1-nitropropyl P-tolyl sulfone?
You can request a quote for 1-Methyl-1-nitropropyl P-tolyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-1-nitropropyl P-tolyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-1-nitropropyl P-tolyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.