4-Bromo-2-(pyrrolidin-1-ylcarbonothioyl)phenyl 2-nitrobenzoate
TL;DR: 4-Bromo-2-(pyrrolidin-1-ylcarbonothioyl)phenyl 2-nitrobenzoate (CAS 443640-38-8) is a chemical compound with molecular formula C18H15BrN2O4S and molecular weight 433.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] 2-nitrobenzoate
Also Known As: [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] 2-nitrobenzoate|4-bromo-2-(pyrrolidin-1-ylcarbonothioyl)phenyl 2-nitrobenzoate|4-bromo-2-(pyrrolidine-1-carbonothioyl)phenyl 2-nitrobenzoate
| Molecular Formula | C18H15BrN2O4S |
|---|---|
| Molecular Weight | 433.99 g/mol |
| LogP | 4.3478 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.9936 |
| Heavy Atoms | 26 |
| Complexity | 881.2449 |
Chemical Identifiers
| CAS Number | 443640-38-8 |
|---|---|
| SMILES | C1CCN(C1)C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
4-Bromo-2-(pyrrolidin-1-ylcarbonothioyl)phenyl 2-nitrobenzoate (CAS 443640-38-8), with molecular formula C18H15BrN2O4S and molecular weight 433.99 g/mol. IUPAC: [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] 2-nitrobenzoate.
Chemical Property Profile of 4-Bromo-2-(pyrrolidin-1-ylcarbonothioyl)phenyl 2-nitrobenzoate
Property Insights of 4-Bromo-2-(pyrrolidin-1-ylcarbonothioyl)phenyl 2-nitrobenzoate
The XLogP value of 4.3478 indicates that 4-Bromo-2-(pyrrolidin-1-ylcarbonothioyl)phenyl 2-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-2-(pyrrolidin-1-ylcarbonothioyl)phenyl 2-nitrobenzoate. Following Lipinski's Rule of Five, 4-Bromo-2-(pyrrolidin-1-ylcarbonothioyl)phenyl 2-nitrobenzoate has 0 hydrogen bond donor(s) and 5 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 4-Bromo-2-(pyrrolidin-1-ylcarbonothioyl)phenyl 2-nitrobenzoate?
The CAS number of 4-Bromo-2-(pyrrolidin-1-ylcarbonothioyl)phenyl 2-nitrobenzoate is 443640-38-8.
What is the molecular formula of 4-Bromo-2-(pyrrolidin-1-ylcarbonothioyl)phenyl 2-nitrobenzoate?
The molecular formula of 4-Bromo-2-(pyrrolidin-1-ylcarbonothioyl)phenyl 2-nitrobenzoate is C18H15BrN2O4S.
What is the molecular weight of 4-Bromo-2-(pyrrolidin-1-ylcarbonothioyl)phenyl 2-nitrobenzoate?
The molecular weight of 4-Bromo-2-(pyrrolidin-1-ylcarbonothioyl)phenyl 2-nitrobenzoate is 433.99 g/mol.
Where can I buy 4-Bromo-2-(pyrrolidin-1-ylcarbonothioyl)phenyl 2-nitrobenzoate?
You can request a quote for 4-Bromo-2-(pyrrolidin-1-ylcarbonothioyl)phenyl 2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-(pyrrolidin-1-ylcarbonothioyl)phenyl 2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-(pyrrolidin-1-ylcarbonothioyl)phenyl 2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.