Methyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate
TL;DR: Methyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate (CAS 95569-01-0) is a chemical compound with molecular formula C9H9N3O8S and molecular weight 319.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(4-methylsulfonyl-2,6-dinitrophenyl)carbamate
Also Known As: methyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate, Methyl N-(4-methylsulfonyl-2,6-dinitro-phenyl)carbamate, methyl N-(4-methylsulfonyl-2,6-dinitrophenyl)carbamate, methyl n-(2,6-dinitro-4-(methylsulfonyl)phenyl)carbamate
| Molecular Formula | C9H9N3O8S |
|---|---|
| Molecular Weight | 319.01 g/mol |
| LogP | 1.0848 |
| Topological Polar Surface Area | 158.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.01105 |
| Heavy Atoms | 21 |
| Complexity | 691.5035 |
Chemical Identifiers
| CAS Number | 95569-01-0 |
|---|---|
| SMILES | COC(=O)NC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-] |
Product Overview
Methyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate (CAS 95569-01-0), with molecular formula C9H9N3O8S and molecular weight 319.01 g/mol. IUPAC: methyl N-(4-methylsulfonyl-2,6-dinitrophenyl)carbamate.
Chemical Property Profile of Methyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate
Property Insights of Methyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate
The XLogP value of 1.0848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate. The TPSA of 158.75 Ų indicates high polarity, suggesting Methyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate has 1 hydrogen bond donor(s) and 8 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 Methyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate?
The CAS number of Methyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate is 95569-01-0.
What is the molecular formula of Methyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate?
The molecular formula of Methyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate is C9H9N3O8S.
What is the molecular weight of Methyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate?
The molecular weight of Methyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate is 319.01 g/mol.
Where can I buy Methyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate?
You can request a quote for Methyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.