1-(tert-Butylsulfonyl)-3-nitrobenzene
TL;DR: 1-(tert-Butylsulfonyl)-3-nitrobenzene (CAS 65171-22-4) is a chemical compound with molecular formula C10H13NO4S and molecular weight 243.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butylsulfonyl-3-nitrobenzene
Also Known As: tert-butyl 3-nitrophenyl sulfone, 1-tert-butylsulfonyl-3-nitrobenzene, 1-nitro-3-tert-butylsulfonyl-benzene, 1-(tert-Butylsulfonyl)-3-nitrobenzene
| Molecular Formula | C10H13NO4S |
|---|---|
| Molecular Weight | 243.06 g/mol |
| LogP | 2.167 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.05653 |
| Heavy Atoms | 16 |
| Complexity | 513.8657 |
Chemical Identifiers
| CAS Number | 65171-22-4 |
|---|---|
| SMILES | CC(C)(C)S(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-] |
Product Overview
1-(tert-Butylsulfonyl)-3-nitrobenzene (CAS 65171-22-4), with molecular formula C10H13NO4S and molecular weight 243.06 g/mol. IUPAC: 1-tert-butylsulfonyl-3-nitrobenzene.
Chemical Property Profile of 1-(tert-Butylsulfonyl)-3-nitrobenzene
Property Insights of 1-(tert-Butylsulfonyl)-3-nitrobenzene
The XLogP value of 2.167 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(tert-Butylsulfonyl)-3-nitrobenzene. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(tert-Butylsulfonyl)-3-nitrobenzene. Following Lipinski's Rule of Five, 1-(tert-Butylsulfonyl)-3-nitrobenzene 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-(tert-Butylsulfonyl)-3-nitrobenzene?
The CAS number of 1-(tert-Butylsulfonyl)-3-nitrobenzene is 65171-22-4.
What is the molecular formula of 1-(tert-Butylsulfonyl)-3-nitrobenzene?
The molecular formula of 1-(tert-Butylsulfonyl)-3-nitrobenzene is C10H13NO4S.
What is the molecular weight of 1-(tert-Butylsulfonyl)-3-nitrobenzene?
The molecular weight of 1-(tert-Butylsulfonyl)-3-nitrobenzene is 243.06 g/mol.
Where can I buy 1-(tert-Butylsulfonyl)-3-nitrobenzene?
You can request a quote for 1-(tert-Butylsulfonyl)-3-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(tert-Butylsulfonyl)-3-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(tert-Butylsulfonyl)-3-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.