![N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-nitrobenzamide structure](/static/products/4319/431939-68-3.webp)
N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-nitrobenzamide
TL;DR: N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-nitrobenzamide (CAS 431939-68-3) is a chemical compound with molecular formula C18H17ClN4O3S and molecular weight 404.07 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]-2-nitrobenzamide
Also Known As: AB00118582-01, N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-nitrobenzamide, N-{[3-chloro-4-(pyrrolidin-1-yl)phenyl]carbamothioyl}-2-nitrobenzamide, 1-[3-CHLORO-4-(PYRROLIDIN-1-YL)PHENYL]-3-(2-NITROBENZOYL)THIOUREA
| Molecular Formula | C18H17ClN4O3S |
|---|---|
| Molecular Weight | 404.07 g/mol |
| LogP | 3.9752 |
| Topological Polar Surface Area | 87.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.07098 |
| Heavy Atoms | 27 |
| Complexity | 899.92554 |
Chemical Identifiers
| CAS Number | 431939-68-3 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-])Cl |
Product Overview
N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-nitrobenzamide (CAS 431939-68-3), with molecular formula C18H17ClN4O3S and molecular weight 404.07 g/mol. IUPAC: N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-nitrobenzamide.
Chemical Property Profile of N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-nitrobenzamide
Property Insights of N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-nitrobenzamide
The XLogP value of 3.9752 indicates that N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.51 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-nitrobenzamide. Following Lipinski's Rule of Five, N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-nitrobenzamide has 2 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 N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-nitrobenzamide?
The CAS number of N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-nitrobenzamide is 431939-68-3.
What is the molecular formula of N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-nitrobenzamide?
The molecular formula of N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-nitrobenzamide is C18H17ClN4O3S.
What is the molecular weight of N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-nitrobenzamide?
The molecular weight of N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-nitrobenzamide is 404.07 g/mol.
Where can I buy N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-nitrobenzamide?
You can request a quote for N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-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]-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.