Ent 27366
TL;DR: Ent 27366 (CAS 5389-12-8) is a chemical compound with molecular formula C12H14N2O6S and molecular weight 314.06 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) methylsulfanylformate
Also Known As: Stauffer R-11259, ENT 27,366, ENT 27366, R-11259, (2-butan-2-yl-4,6-dinitrophenyl) methylsulfanylformate
| Molecular Formula | C12H14N2O6S |
|---|---|
| Molecular Weight | 314.06 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.05725 |
| Heavy Atoms | 21 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 5389-12-8 |
|---|---|
| SMILES | CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)SC |
| InChIKey | AYECJGKYACALJY-UHFFFAOYSA-N |
Product Overview
Ent 27366 (CAS 5389-12-8), with molecular formula C12H14N2O6S and molecular weight 314.06 g/mol. IUPAC: (2-butan-2-yl-4,6-dinitrophenyl) methylsulfanylformate.
Chemical Property Profile of Ent 27366
Property Insights of Ent 27366
The XLogP value of 4.1 indicates that Ent 27366 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.0 Ų indicates high polarity, suggesting Ent 27366 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ent 27366 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 Ent 27366?
The CAS number of Ent 27366 is 5389-12-8.
What is the molecular formula of Ent 27366?
The molecular formula of Ent 27366 is C12H14N2O6S.
What is the molecular weight of Ent 27366?
The molecular weight of Ent 27366 is 314.06 g/mol.
Where can I buy Ent 27366?
You can request a quote for Ent 27366 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ent 27366?
Yes, KEHONG BIO provides custom synthesis services for Ent 27366 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.