1,2-Benzenediol, 5-(methylsulfonyl)-3-nitro-
TL;DR: 1,2-Benzenediol, 5-(methylsulfonyl)-3-nitro- (CAS 125628-92-4) is a chemical compound with molecular formula C7H7NO6S and molecular weight 233.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylsulfonyl-3-nitrobenzene-1,2-diol
Also Known As: 1,2-Benzenediol, 5-(methylsulfonyl)-3-nitro-, 5-(Methylsulfonyl)-3-nitro-1,2-benzenediol, 1,2-Benzenedid, 5-(methylsulfonyl)-3-nitro-, 5-methylsulfonyl-3-nitrobenzene-1,2-diol, 1,2-Benzenediol,5-(methylsulfonyl)-3-nitro-
| Molecular Formula | C7H7NO6S |
|---|---|
| Molecular Weight | 233.00 g/mol |
| LogP | 0.4095 |
| Topological Polar Surface Area | 117.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.9994 |
| Heavy Atoms | 15 |
| Complexity | 520.5271 |
Chemical Identifiers
| CAS Number | 125628-92-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C(=C1)O)O)[N+](=O)[O-] |
Product Overview
1,2-Benzenediol, 5-(methylsulfonyl)-3-nitro- (CAS 125628-92-4), with molecular formula C7H7NO6S and molecular weight 233.00 g/mol. IUPAC: 5-methylsulfonyl-3-nitrobenzene-1,2-diol.
Chemical Property Profile of 1,2-Benzenediol, 5-(methylsulfonyl)-3-nitro-
Property Insights of 1,2-Benzenediol, 5-(methylsulfonyl)-3-nitro-
The XLogP value of 0.4095 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenediol, 5-(methylsulfonyl)-3-nitro-. The TPSA of 117.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenediol, 5-(methylsulfonyl)-3-nitro-. Following Lipinski's Rule of Five, 1,2-Benzenediol, 5-(methylsulfonyl)-3-nitro- has 2 hydrogen bond donor(s) and 6 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 1,2-Benzenediol, 5-(methylsulfonyl)-3-nitro-?
The CAS number of 1,2-Benzenediol, 5-(methylsulfonyl)-3-nitro- is 125628-92-4.
What is the molecular formula of 1,2-Benzenediol, 5-(methylsulfonyl)-3-nitro-?
The molecular formula of 1,2-Benzenediol, 5-(methylsulfonyl)-3-nitro- is C7H7NO6S.
What is the molecular weight of 1,2-Benzenediol, 5-(methylsulfonyl)-3-nitro-?
The molecular weight of 1,2-Benzenediol, 5-(methylsulfonyl)-3-nitro- is 233.00 g/mol.
Where can I buy 1,2-Benzenediol, 5-(methylsulfonyl)-3-nitro-?
You can request a quote for 1,2-Benzenediol, 5-(methylsulfonyl)-3-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenediol, 5-(methylsulfonyl)-3-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenediol, 5-(methylsulfonyl)-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.