2-Methoxy-5-(pyrrolidin-1-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate
TL;DR: 2-Methoxy-5-(pyrrolidin-1-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate (CAS 443896-80-8) is a chemical compound with molecular formula C19H17ClN2O5S and molecular weight 420.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-5-(pyrrolidine-1-carbothioyl)phenyl] 4-chloro-3-nitrobenzoate
Also Known As: 2-methoxy-5-(pyrrolidin-1-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate, [2-methoxy-5-(pyrrolidine-1-carbothioyl)phenyl] 4-chloro-3-nitro-benzoate, [2-methoxy-5-(pyrrolidine-1-carbothioyl)phenyl] 4-chloro-3-nitrobenzoate, 2-methoxy-5-(pyrrolidine-1-carbonothioyl)phenyl 4-chloro-3-nitrobenzoate
| Molecular Formula | C19H17ClN2O5S |
|---|---|
| Molecular Weight | 420.05 g/mol |
| LogP | 4.2473 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.05466 |
| Heavy Atoms | 28 |
| Complexity | 943.9164 |
Chemical Identifiers
| CAS Number | 443896-80-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=S)N2CCCC2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
2-Methoxy-5-(pyrrolidin-1-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate (CAS 443896-80-8), with molecular formula C19H17ClN2O5S and molecular weight 420.05 g/mol. IUPAC: [2-methoxy-5-(pyrrolidine-1-carbothioyl)phenyl] 4-chloro-3-nitrobenzoate.
Chemical Property Profile of 2-Methoxy-5-(pyrrolidin-1-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate
Property Insights of 2-Methoxy-5-(pyrrolidin-1-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate
The XLogP value of 4.2473 indicates that 2-Methoxy-5-(pyrrolidin-1-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methoxy-5-(pyrrolidin-1-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate. Following Lipinski's Rule of Five, 2-Methoxy-5-(pyrrolidin-1-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate has 0 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-Methoxy-5-(pyrrolidin-1-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate?
The CAS number of 2-Methoxy-5-(pyrrolidin-1-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate is 443896-80-8.
What is the molecular formula of 2-Methoxy-5-(pyrrolidin-1-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate?
The molecular formula of 2-Methoxy-5-(pyrrolidin-1-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate is C19H17ClN2O5S.
What is the molecular weight of 2-Methoxy-5-(pyrrolidin-1-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate?
The molecular weight of 2-Methoxy-5-(pyrrolidin-1-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate is 420.05 g/mol.
Where can I buy 2-Methoxy-5-(pyrrolidin-1-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate?
You can request a quote for 2-Methoxy-5-(pyrrolidin-1-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-5-(pyrrolidin-1-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-5-(pyrrolidin-1-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.