4-Methanesulfonyl-1-methoxy-2-nitrobenzene
TL;DR: 4-Methanesulfonyl-1-methoxy-2-nitrobenzene (CAS 20945-69-1) is a chemical compound with molecular formula C8H9NO5S and molecular weight 231.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-4-methylsulfonyl-2-nitrobenzene
Also Known As: 4-methanesulfonyl-1-methoxy-2-nitrobenzene, 4-Methoxy-3-nitrophenyl methyl sulfone, 1-methoxy-4-methylsulfonyl-2-nitrobenzene, 1-methoxy-4-methylsulfonyl-2-nitro-benzene, 4-methanesulfonyl-1-methoxy-2-nitro-benzene
| Molecular Formula | C8H9NO5S |
|---|---|
| Molecular Weight | 231.02 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.02014 |
| Heavy Atoms | 15 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 20945-69-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-] |
| InChIKey | NPQPEWSDPMSLMR-UHFFFAOYSA-N |
Product Overview
4-Methanesulfonyl-1-methoxy-2-nitrobenzene (CAS 20945-69-1), with molecular formula C8H9NO5S and molecular weight 231.02 g/mol. IUPAC: 1-methoxy-4-methylsulfonyl-2-nitrobenzene.
Chemical Property Profile of 4-Methanesulfonyl-1-methoxy-2-nitrobenzene
Property Insights of 4-Methanesulfonyl-1-methoxy-2-nitrobenzene
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methanesulfonyl-1-methoxy-2-nitrobenzene. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methanesulfonyl-1-methoxy-2-nitrobenzene. Following Lipinski's Rule of Five, 4-Methanesulfonyl-1-methoxy-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 4-Methanesulfonyl-1-methoxy-2-nitrobenzene?
The CAS number of 4-Methanesulfonyl-1-methoxy-2-nitrobenzene is 20945-69-1.
What is the molecular formula of 4-Methanesulfonyl-1-methoxy-2-nitrobenzene?
The molecular formula of 4-Methanesulfonyl-1-methoxy-2-nitrobenzene is C8H9NO5S.
What is the molecular weight of 4-Methanesulfonyl-1-methoxy-2-nitrobenzene?
The molecular weight of 4-Methanesulfonyl-1-methoxy-2-nitrobenzene is 231.02 g/mol.
Where can I buy 4-Methanesulfonyl-1-methoxy-2-nitrobenzene?
You can request a quote for 4-Methanesulfonyl-1-methoxy-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methanesulfonyl-1-methoxy-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Methanesulfonyl-1-methoxy-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.