1-Ethyl-4-(morpholin-4-ylsulfonyl)-2-nitrobenzene
TL;DR: 1-Ethyl-4-(morpholin-4-ylsulfonyl)-2-nitrobenzene (CAS 91559-03-4) is a chemical compound with molecular formula C12H16N2O5S and molecular weight 300.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-ethyl-3-nitrophenyl)sulfonylmorpholine
Also Known As: 4-(4-ethyl-3-nitro-benzenesulfonyl)-morpholine, 4-(4-ethyl-3-nitrophenyl)sulfonylmorpholine, 1-ethyl-4-(morpholin-4-ylsulfonyl)-2-nitrobenzene
| Molecular Formula | C12H16N2O5S |
|---|---|
| Molecular Weight | 300.08 g/mol |
| LogP | 1.1781 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.078 |
| Heavy Atoms | 20 |
| Complexity | 608.27374 |
Chemical Identifiers
| CAS Number | 91559-03-4 |
|---|---|
| SMILES | CCC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-] |
Product Overview
1-Ethyl-4-(morpholin-4-ylsulfonyl)-2-nitrobenzene (CAS 91559-03-4), with molecular formula C12H16N2O5S and molecular weight 300.08 g/mol. IUPAC: 4-(4-ethyl-3-nitrophenyl)sulfonylmorpholine.
Chemical Property Profile of 1-Ethyl-4-(morpholin-4-ylsulfonyl)-2-nitrobenzene
Property Insights of 1-Ethyl-4-(morpholin-4-ylsulfonyl)-2-nitrobenzene
The XLogP value of 1.1781 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-4-(morpholin-4-ylsulfonyl)-2-nitrobenzene. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethyl-4-(morpholin-4-ylsulfonyl)-2-nitrobenzene. Following Lipinski's Rule of Five, 1-Ethyl-4-(morpholin-4-ylsulfonyl)-2-nitrobenzene has 0 hydrogen bond donor(s) and 5 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-Ethyl-4-(morpholin-4-ylsulfonyl)-2-nitrobenzene?
The CAS number of 1-Ethyl-4-(morpholin-4-ylsulfonyl)-2-nitrobenzene is 91559-03-4.
What is the molecular formula of 1-Ethyl-4-(morpholin-4-ylsulfonyl)-2-nitrobenzene?
The molecular formula of 1-Ethyl-4-(morpholin-4-ylsulfonyl)-2-nitrobenzene is C12H16N2O5S.
What is the molecular weight of 1-Ethyl-4-(morpholin-4-ylsulfonyl)-2-nitrobenzene?
The molecular weight of 1-Ethyl-4-(morpholin-4-ylsulfonyl)-2-nitrobenzene is 300.08 g/mol.
Where can I buy 1-Ethyl-4-(morpholin-4-ylsulfonyl)-2-nitrobenzene?
You can request a quote for 1-Ethyl-4-(morpholin-4-ylsulfonyl)-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-4-(morpholin-4-ylsulfonyl)-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-4-(morpholin-4-ylsulfonyl)-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.