Propyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate
TL;DR: Propyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate (CAS 95569-03-2) is a chemical compound with molecular formula C11H13N3O8S and molecular weight 347.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl N-(4-methylsulfonyl-2,6-dinitrophenyl)carbamate
Also Known As: propyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate, Propyl N-(4-methylsulfonyl-2,6-dinitro-phenyl)carbamate, propyl N-(4-methylsulfonyl-2,6-dinitrophenyl)carbamate, propyl n-(2,6-dinitro-4-(methylsulfonyl)phenyl)carbamate
| Molecular Formula | C11H13N3O8S |
|---|---|
| Molecular Weight | 347.04 g/mol |
| LogP | 1.865 |
| Topological Polar Surface Area | 158.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.04233 |
| Heavy Atoms | 23 |
| Complexity | 723.5303 |
Chemical Identifiers
| CAS Number | 95569-03-2 |
|---|---|
| SMILES | CCCOC(=O)NC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-] |
Product Overview
Propyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate (CAS 95569-03-2), with molecular formula C11H13N3O8S and molecular weight 347.04 g/mol. IUPAC: propyl N-(4-methylsulfonyl-2,6-dinitrophenyl)carbamate.
Chemical Property Profile of Propyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate
Property Insights of Propyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate
The XLogP value of 1.865 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate. The TPSA of 158.75 Ų indicates high polarity, suggesting Propyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Propyl 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 Propyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate?
The CAS number of Propyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate is 95569-03-2.
What is the molecular formula of Propyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate?
The molecular formula of Propyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate is C11H13N3O8S.
What is the molecular weight of Propyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate?
The molecular weight of Propyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate is 347.04 g/mol.
Where can I buy Propyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate?
You can request a quote for Propyl 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 Propyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 4-(methylsulfonyl)-2,6-dinitrophenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.