2-Bromo-6-ethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-nitrobenzoate
TL;DR: 2-Bromo-6-ethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-nitrobenzoate (CAS 6066-31-5) is a chemical compound with molecular formula C20H19BrN2O6S and molecular weight 494.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-bromo-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-nitrobenzoate
Also Known As: BIM-0043894.P001, [2-bromo-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-nitrobenzoate, 2-bromo-6-ethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-nitrobenzoate, 2-Bromo-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl 4-nitrobenzoate, 2-bromo-6-ethoxy-4-(4-morpholinylcarbonothioyl)phenyl 4-nitrobenzoate
| Molecular Formula | C20H19BrN2O6S |
|---|---|
| Molecular Weight | 494.01 g/mol |
| LogP | 3.9829 |
| Topological Polar Surface Area | 91.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.0147 |
| Heavy Atoms | 30 |
| Complexity | 960.5142 |
Chemical Identifiers
| CAS Number | 6066-31-5 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C(=S)N2CCOCC2)Br)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-Bromo-6-ethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-nitrobenzoate (CAS 6066-31-5), with molecular formula C20H19BrN2O6S and molecular weight 494.01 g/mol. IUPAC: [2-bromo-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-nitrobenzoate.
Chemical Property Profile of 2-Bromo-6-ethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-nitrobenzoate
Property Insights of 2-Bromo-6-ethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-nitrobenzoate
The XLogP value of 3.9829 indicates that 2-Bromo-6-ethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-6-ethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-nitrobenzoate. Following Lipinski's Rule of Five, 2-Bromo-6-ethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-nitrobenzoate 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 2-Bromo-6-ethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-nitrobenzoate?
The CAS number of 2-Bromo-6-ethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-nitrobenzoate is 6066-31-5.
What is the molecular formula of 2-Bromo-6-ethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-nitrobenzoate?
The molecular formula of 2-Bromo-6-ethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-nitrobenzoate is C20H19BrN2O6S.
What is the molecular weight of 2-Bromo-6-ethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-nitrobenzoate?
The molecular weight of 2-Bromo-6-ethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-nitrobenzoate is 494.01 g/mol.
Where can I buy 2-Bromo-6-ethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-nitrobenzoate?
You can request a quote for 2-Bromo-6-ethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-6-ethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-6-ethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.