2-(Butan-2-yl)-4,6-dinitrophenyl hydrogen ethylcarbonimidate
TL;DR: 2-(Butan-2-yl)-4,6-dinitrophenyl hydrogen ethylcarbonimidate (CAS 73758-36-8) is a chemical compound with molecular formula C13H17N3O6 and molecular weight 311.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-butan-2-yl-4,6-dinitrophenyl) N-ethylcarbamate
Also Known As: 2-sec-Butyl-4,6-dinitrophenyl-N-ethylcarbamate, Phenol, 2-sec-butyl-4,6-dinitro-, ethylcarbamate, (2-butan-2-yl-4,6-dinitrophenyl) N-ethylcarbamate, 2-(butan-2-yl)-4,6-dinitrophenyl N-ethylcarbamate, 2-(Butan-2-yl)-4,6-dinitrophenyl hydrogen ethylcarbonimidate
| Molecular Formula | C13H17N3O6 |
|---|---|
| Molecular Weight | 311.11 g/mol |
| LogP | 3.1248 |
| Topological Polar Surface Area | 124.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.11172 |
| Heavy Atoms | 22 |
| Complexity | 601.68335 |
Chemical Identifiers
| CAS Number | 73758-36-8 |
|---|---|
| SMILES | CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)NCC |
Product Overview
2-(Butan-2-yl)-4,6-dinitrophenyl hydrogen ethylcarbonimidate (CAS 73758-36-8), with molecular formula C13H17N3O6 and molecular weight 311.11 g/mol. IUPAC: (2-butan-2-yl-4,6-dinitrophenyl) N-ethylcarbamate.
Chemical Property Profile of 2-(Butan-2-yl)-4,6-dinitrophenyl hydrogen ethylcarbonimidate
Property Insights of 2-(Butan-2-yl)-4,6-dinitrophenyl hydrogen ethylcarbonimidate
The XLogP value of 3.1248 indicates that 2-(Butan-2-yl)-4,6-dinitrophenyl hydrogen ethylcarbonimidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Butan-2-yl)-4,6-dinitrophenyl hydrogen ethylcarbonimidate. Following Lipinski's Rule of Five, 2-(Butan-2-yl)-4,6-dinitrophenyl hydrogen ethylcarbonimidate 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 2-(Butan-2-yl)-4,6-dinitrophenyl hydrogen ethylcarbonimidate?
The CAS number of 2-(Butan-2-yl)-4,6-dinitrophenyl hydrogen ethylcarbonimidate is 73758-36-8.
What is the molecular formula of 2-(Butan-2-yl)-4,6-dinitrophenyl hydrogen ethylcarbonimidate?
The molecular formula of 2-(Butan-2-yl)-4,6-dinitrophenyl hydrogen ethylcarbonimidate is C13H17N3O6.
What is the molecular weight of 2-(Butan-2-yl)-4,6-dinitrophenyl hydrogen ethylcarbonimidate?
The molecular weight of 2-(Butan-2-yl)-4,6-dinitrophenyl hydrogen ethylcarbonimidate is 311.11 g/mol.
Where can I buy 2-(Butan-2-yl)-4,6-dinitrophenyl hydrogen ethylcarbonimidate?
You can request a quote for 2-(Butan-2-yl)-4,6-dinitrophenyl hydrogen ethylcarbonimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Butan-2-yl)-4,6-dinitrophenyl hydrogen ethylcarbonimidate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Butan-2-yl)-4,6-dinitrophenyl hydrogen ethylcarbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.