Carbonic acid, thio-, O-(2-sec-butyl-4,6-dinitrophenyl) S-ethyl ester
TL;DR: Carbonic acid, thio-, O-(2-sec-butyl-4,6-dinitrophenyl) S-ethyl ester (CAS 6074-15-3) is a chemical compound with molecular formula C13H16N2O6S and molecular weight 328.07 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) ethylsulfanylformate
Also Known As: Stauffer R-11260, ENT 27,367, R-11260, (2-butan-2-yl-4,6-dinitrophenyl) ethylsulfanylformate, S-Ethyl O-(2-(1-methylpropyl)-4,6-dinitrophenyl) carbonothioate
| Molecular Formula | C13H16N2O6S |
|---|---|
| Molecular Weight | 328.07 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.0729 |
| Heavy Atoms | 22 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 6074-15-3 |
|---|---|
| SMILES | CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)SCC |
| InChIKey | QKKGMEKXCCXHKQ-UHFFFAOYSA-N |
Product Overview
Carbonic acid, thio-, O-(2-sec-butyl-4,6-dinitrophenyl) S-ethyl ester (CAS 6074-15-3), with molecular formula C13H16N2O6S and molecular weight 328.07 g/mol. IUPAC: (2-butan-2-yl-4,6-dinitrophenyl) ethylsulfanylformate.
Chemical Property Profile of Carbonic acid, thio-, O-(2-sec-butyl-4,6-dinitrophenyl) S-ethyl ester
Property Insights of Carbonic acid, thio-, O-(2-sec-butyl-4,6-dinitrophenyl) S-ethyl ester
The XLogP value of 4.4 indicates that Carbonic acid, thio-, O-(2-sec-butyl-4,6-dinitrophenyl) S-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.0 Ų indicates high polarity, suggesting Carbonic acid, thio-, O-(2-sec-butyl-4,6-dinitrophenyl) S-ethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carbonic acid, thio-, O-(2-sec-butyl-4,6-dinitrophenyl) S-ethyl ester has 0 hydrogen bond donor(s) and 7 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 Carbonic acid, thio-, O-(2-sec-butyl-4,6-dinitrophenyl) S-ethyl ester?
The CAS number of Carbonic acid, thio-, O-(2-sec-butyl-4,6-dinitrophenyl) S-ethyl ester is 6074-15-3.
What is the molecular formula of Carbonic acid, thio-, O-(2-sec-butyl-4,6-dinitrophenyl) S-ethyl ester?
The molecular formula of Carbonic acid, thio-, O-(2-sec-butyl-4,6-dinitrophenyl) S-ethyl ester is C13H16N2O6S.
What is the molecular weight of Carbonic acid, thio-, O-(2-sec-butyl-4,6-dinitrophenyl) S-ethyl ester?
The molecular weight of Carbonic acid, thio-, O-(2-sec-butyl-4,6-dinitrophenyl) S-ethyl ester is 328.07 g/mol.
Where can I buy Carbonic acid, thio-, O-(2-sec-butyl-4,6-dinitrophenyl) S-ethyl ester?
You can request a quote for Carbonic acid, thio-, O-(2-sec-butyl-4,6-dinitrophenyl) S-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonic acid, thio-, O-(2-sec-butyl-4,6-dinitrophenyl) S-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, thio-, O-(2-sec-butyl-4,6-dinitrophenyl) S-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.