Benzene, 2-methoxy-5-(methylsulfonyl)-1,3-dinitro-
TL;DR: Benzene, 2-methoxy-5-(methylsulfonyl)-1,3-dinitro- (CAS 39880-50-7) is a chemical compound with molecular formula C8H8N2O7S and molecular weight 276.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-5-methylsulfonyl-1,3-dinitrobenzene
Also Known As: 4-methylsulfinato-2,6-dinitro-anisole, 2,6-Dinitro-4-(methyl-sulfonyl)-anisol, Benzene, 2-methoxy-5-(methylsulfonyl)-1,3-dinitro-, 2-methoxy-5-methylsulfonyl-1,3-dinitrobenzene, 2-methoxy-5-methylsulfonyl-1,3-dinitro-benzene
| Molecular Formula | C8H8N2O7S |
|---|---|
| Molecular Weight | 276.01 g/mol |
| LogP | 0.9151 |
| Topological Polar Surface Area | 129.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.00522 |
| Heavy Atoms | 18 |
| Complexity | 587.3278 |
Chemical Identifiers
| CAS Number | 39880-50-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-] |
Product Overview
Benzene, 2-methoxy-5-(methylsulfonyl)-1,3-dinitro- (CAS 39880-50-7), with molecular formula C8H8N2O7S and molecular weight 276.01 g/mol. IUPAC: 2-methoxy-5-methylsulfonyl-1,3-dinitrobenzene.
Chemical Property Profile of Benzene, 2-methoxy-5-(methylsulfonyl)-1,3-dinitro-
Property Insights of Benzene, 2-methoxy-5-(methylsulfonyl)-1,3-dinitro-
The XLogP value of 0.9151 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 2-methoxy-5-(methylsulfonyl)-1,3-dinitro-. The TPSA of 129.65 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 2-methoxy-5-(methylsulfonyl)-1,3-dinitro-. Following Lipinski's Rule of Five, Benzene, 2-methoxy-5-(methylsulfonyl)-1,3-dinitro- has 0 hydrogen bond donor(s) and 7 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 Benzene, 2-methoxy-5-(methylsulfonyl)-1,3-dinitro-?
The CAS number of Benzene, 2-methoxy-5-(methylsulfonyl)-1,3-dinitro- is 39880-50-7.
What is the molecular formula of Benzene, 2-methoxy-5-(methylsulfonyl)-1,3-dinitro-?
The molecular formula of Benzene, 2-methoxy-5-(methylsulfonyl)-1,3-dinitro- is C8H8N2O7S.
What is the molecular weight of Benzene, 2-methoxy-5-(methylsulfonyl)-1,3-dinitro-?
The molecular weight of Benzene, 2-methoxy-5-(methylsulfonyl)-1,3-dinitro- is 276.01 g/mol.
Where can I buy Benzene, 2-methoxy-5-(methylsulfonyl)-1,3-dinitro-?
You can request a quote for Benzene, 2-methoxy-5-(methylsulfonyl)-1,3-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 2-methoxy-5-(methylsulfonyl)-1,3-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 2-methoxy-5-(methylsulfonyl)-1,3-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.