1-Nitrocyclohexyl P-tolyl sulfone
TL;DR: 1-Nitrocyclohexyl P-tolyl sulfone (CAS 41774-12-3) is a chemical compound with molecular formula C13H17NO4S and molecular weight 283.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(1-nitrocyclohexyl)sulfonylbenzene
Also Known As: 1-NITROCYCLOHEXYL P-TOLYL SULFONE, 1-methyl-4-(1-nitrocyclohexyl)sulfonylbenzene, 1-p-tolylsulfonyl-1-nitrocyclo-hexane, 4-Methylphenyl(1-nitrocyclohexyl) sulfone, 1-methyl-4-(1-nitrocyclohexyl)sulfonyl-benzene
| Molecular Formula | C13H17NO4S |
|---|---|
| Molecular Weight | 283.09 g/mol |
| LogP | 2.70582 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.08783 |
| Heavy Atoms | 19 |
| Complexity | 571.1657 |
Chemical Identifiers
| CAS Number | 41774-12-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2(CCCCC2)[N+](=O)[O-] |
Product Overview
1-Nitrocyclohexyl P-tolyl sulfone (CAS 41774-12-3), with molecular formula C13H17NO4S and molecular weight 283.09 g/mol. IUPAC: 1-methyl-4-(1-nitrocyclohexyl)sulfonylbenzene.
Chemical Property Profile of 1-Nitrocyclohexyl P-tolyl sulfone
Property Insights of 1-Nitrocyclohexyl P-tolyl sulfone
The XLogP value of 2.70582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitrocyclohexyl P-tolyl sulfone. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitrocyclohexyl P-tolyl sulfone. Following Lipinski's Rule of Five, 1-Nitrocyclohexyl 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-Nitrocyclohexyl P-tolyl sulfone?
The CAS number of 1-Nitrocyclohexyl P-tolyl sulfone is 41774-12-3.
What is the molecular formula of 1-Nitrocyclohexyl P-tolyl sulfone?
The molecular formula of 1-Nitrocyclohexyl P-tolyl sulfone is C13H17NO4S.
What is the molecular weight of 1-Nitrocyclohexyl P-tolyl sulfone?
The molecular weight of 1-Nitrocyclohexyl P-tolyl sulfone is 283.09 g/mol.
Where can I buy 1-Nitrocyclohexyl P-tolyl sulfone?
You can request a quote for 1-Nitrocyclohexyl 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-Nitrocyclohexyl P-tolyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitrocyclohexyl P-tolyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.