Carbamic acid, 2-tert-butyl-4,6-dinitrophenyl ester
TL;DR: Carbamic acid, 2-tert-butyl-4,6-dinitrophenyl ester (CAS 13268-96-7) is a chemical compound with molecular formula C11H13N3O6 and molecular weight 283.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-tert-butyl-4,6-dinitrophenyl) carbamate
Also Known As: UC 21427, 2-tert-Butyl-4,6-dinitrophenol carbamate, 2-tert-Butyl-4,6-dinitrophenyl carbamate, (2-tert-butyl-4,6-dinitrophenyl) carbamate, 2-t-butyl-4,6-dinitrophenyl carbamate
| Molecular Formula | C11H13N3O6 |
|---|---|
| Molecular Weight | 283.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.08044 |
| Heavy Atoms | 20 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 13268-96-7 |
|---|---|
| SMILES | CC(C)(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)N |
| InChIKey | WSEKTAKGWNNHMA-UHFFFAOYSA-N |
Product Overview
Carbamic acid, 2-tert-butyl-4,6-dinitrophenyl ester (CAS 13268-96-7), with molecular formula C11H13N3O6 and molecular weight 283.08 g/mol. IUPAC: (2-tert-butyl-4,6-dinitrophenyl) carbamate.
Chemical Property Profile of Carbamic acid, 2-tert-butyl-4,6-dinitrophenyl ester
Property Insights of Carbamic acid, 2-tert-butyl-4,6-dinitrophenyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, 2-tert-butyl-4,6-dinitrophenyl ester. The TPSA of 144.0 Ų indicates high polarity, suggesting Carbamic acid, 2-tert-butyl-4,6-dinitrophenyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carbamic acid, 2-tert-butyl-4,6-dinitrophenyl ester has 1 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 Carbamic acid, 2-tert-butyl-4,6-dinitrophenyl ester?
The CAS number of Carbamic acid, 2-tert-butyl-4,6-dinitrophenyl ester is 13268-96-7.
What is the molecular formula of Carbamic acid, 2-tert-butyl-4,6-dinitrophenyl ester?
The molecular formula of Carbamic acid, 2-tert-butyl-4,6-dinitrophenyl ester is C11H13N3O6.
What is the molecular weight of Carbamic acid, 2-tert-butyl-4,6-dinitrophenyl ester?
The molecular weight of Carbamic acid, 2-tert-butyl-4,6-dinitrophenyl ester is 283.08 g/mol.
Where can I buy Carbamic acid, 2-tert-butyl-4,6-dinitrophenyl ester?
You can request a quote for Carbamic acid, 2-tert-butyl-4,6-dinitrophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, 2-tert-butyl-4,6-dinitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, 2-tert-butyl-4,6-dinitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.