![N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide structure](/static/products/7665/766523-79-9.webp)
N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide
TL;DR: N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide (CAS 766523-79-9) is a chemical compound with molecular formula C21H23ClN4O3S and molecular weight 446.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide
Also Known As: N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide, N-{[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl}-2-methyl-3-nitrobenzamide, N-[[3-chloro-4-(4-methyl-1-piperidyl)phenyl]thiocarbamoyl]-2-methyl-3-nitro-benzamide
| Molecular Formula | C21H23ClN4O3S |
|---|---|
| Molecular Weight | 446.12 g/mol |
| LogP | 4.91972 |
| Topological Polar Surface Area | 87.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.11795 |
| Heavy Atoms | 30 |
| Complexity | 990.2119 |
Chemical Identifiers
| CAS Number | 766523-79-9 |
|---|---|
| SMILES | CC1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C)Cl |
Product Overview
N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide (CAS 766523-79-9), with molecular formula C21H23ClN4O3S and molecular weight 446.12 g/mol. IUPAC: N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide.
Chemical Property Profile of N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide
Property Insights of N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide
The XLogP value of 4.91972 indicates that N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-methyl-3-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-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-methyl-3-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-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide?
The CAS number of N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide is 766523-79-9.
What is the molecular formula of N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide?
The molecular formula of N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide is C21H23ClN4O3S.
What is the molecular weight of N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide?
The molecular weight of N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide is 446.12 g/mol.
Where can I buy N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide?
You can request a quote for N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-methyl-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-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.