N-(dibenzylcarbamothioyl)-3-nitrobenzamide
TL;DR: N-(dibenzylcarbamothioyl)-3-nitrobenzamide (CAS 124397-85-9) is a chemical compound with molecular formula C22H19N3O3S and molecular weight 405.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(dibenzylcarbamothioyl)-3-nitrobenzamide
Also Known As: N-(dibenzylcarbamothioyl)-3-nitrobenzamide
| Molecular Formula | C22H19N3O3S |
|---|---|
| Molecular Weight | 405.11 g/mol |
| LogP | 4.3119 |
| Topological Polar Surface Area | 75.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.11472 |
| Heavy Atoms | 29 |
| Complexity | 968.5807 |
Chemical Identifiers
| CAS Number | 124397-85-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
N-(dibenzylcarbamothioyl)-3-nitrobenzamide (CAS 124397-85-9), with molecular formula C22H19N3O3S and molecular weight 405.11 g/mol. IUPAC: N-(dibenzylcarbamothioyl)-3-nitrobenzamide.
Chemical Property Profile of N-(dibenzylcarbamothioyl)-3-nitrobenzamide
Property Insights of N-(dibenzylcarbamothioyl)-3-nitrobenzamide
The XLogP value of 4.3119 indicates that N-(dibenzylcarbamothioyl)-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.48 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(dibenzylcarbamothioyl)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(dibenzylcarbamothioyl)-3-nitrobenzamide has 1 hydrogen bond donor(s) and 4 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-(dibenzylcarbamothioyl)-3-nitrobenzamide?
The CAS number of N-(dibenzylcarbamothioyl)-3-nitrobenzamide is 124397-85-9.
What is the molecular formula of N-(dibenzylcarbamothioyl)-3-nitrobenzamide?
The molecular formula of N-(dibenzylcarbamothioyl)-3-nitrobenzamide is C22H19N3O3S.
What is the molecular weight of N-(dibenzylcarbamothioyl)-3-nitrobenzamide?
The molecular weight of N-(dibenzylcarbamothioyl)-3-nitrobenzamide is 405.11 g/mol.
Where can I buy N-(dibenzylcarbamothioyl)-3-nitrobenzamide?
You can request a quote for N-(dibenzylcarbamothioyl)-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-(dibenzylcarbamothioyl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(dibenzylcarbamothioyl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.