![N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide structure](/static/products/6743/674355-52-3.webp)
N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide
TL;DR: N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide (CAS 674355-52-3) is a chemical compound with molecular formula C20H21ClN4O4S and molecular weight 448.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide
Also Known As: N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide, N-{[3-chloro-4-(pyrrolidin-1-yl)phenyl]carbamothioyl}-4-ethoxy-3-nitrobenzamide, N-((3-chloro-4-(pyrrolidin-1-yl)phenyl)carbamothioyl)-4-ethoxy-3-nitrobenzamide, N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)thiocarbamoyl]-4-ethoxy-3-nitro-benzamide
| Molecular Formula | C20H21ClN4O4S |
|---|---|
| Molecular Weight | 448.10 g/mol |
| LogP | 4.3739 |
| Topological Polar Surface Area | 96.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.0972 |
| Heavy Atoms | 30 |
| Complexity | 979.274 |
Chemical Identifiers
| CAS Number | 674355-52-3 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCC3)Cl)[N+](=O)[O-] |
Product Overview
N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide (CAS 674355-52-3), with molecular formula C20H21ClN4O4S and molecular weight 448.10 g/mol. IUPAC: N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide.
Chemical Property Profile of N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide
Property Insights of N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide
The XLogP value of 4.3739 indicates that N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.74 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide has 2 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 N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide?
The CAS number of N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide is 674355-52-3.
What is the molecular formula of N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide?
The molecular formula of N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide is C20H21ClN4O4S.
What is the molecular weight of N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide?
The molecular weight of N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide is 448.10 g/mol.
Where can I buy N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide?
You can request a quote for N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.