![N-{[4-(dimethylamino)phenyl]carbamothioyl}-3-nitrobenzamide structure](/static/products/4284/428494-31-9.webp)
N-{[4-(dimethylamino)phenyl]carbamothioyl}-3-nitrobenzamide
TL;DR: N-{[4-(dimethylamino)phenyl]carbamothioyl}-3-nitrobenzamide (CAS 428494-31-9) is a chemical compound with molecular formula C16H16N4O3S and molecular weight 344.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(dimethylamino)phenyl]carbamothioyl]-3-nitrobenzamide
Also Known As: AB00108752-01, N-{[4-(dimethylamino)phenyl]carbamothioyl}-3-nitrobenzamide, N-[(4-dimethylaminophenyl)carbamothioyl]-3-nitrobenzamide, N-[[4-(dimethylamino)phenyl]carbamothioyl]-3-nitrobenzamide
| Molecular Formula | C16H16N4O3S |
|---|---|
| Molecular Weight | 344.09 g/mol |
| LogP | 2.7876 |
| Topological Polar Surface Area | 87.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.0943 |
| Heavy Atoms | 24 |
| Complexity | 775.1469 |
Chemical Identifiers
| CAS Number | 428494-31-9 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
N-{[4-(dimethylamino)phenyl]carbamothioyl}-3-nitrobenzamide (CAS 428494-31-9), with molecular formula C16H16N4O3S and molecular weight 344.09 g/mol. IUPAC: N-[[4-(dimethylamino)phenyl]carbamothioyl]-3-nitrobenzamide.
Chemical Property Profile of N-{[4-(dimethylamino)phenyl]carbamothioyl}-3-nitrobenzamide
Property Insights of N-{[4-(dimethylamino)phenyl]carbamothioyl}-3-nitrobenzamide
The XLogP value of 2.7876 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{[4-(dimethylamino)phenyl]carbamothioyl}-3-nitrobenzamide. The TPSA of 87.51 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[4-(dimethylamino)phenyl]carbamothioyl}-3-nitrobenzamide. Following Lipinski's Rule of Five, N-{[4-(dimethylamino)phenyl]carbamothioyl}-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-{[4-(dimethylamino)phenyl]carbamothioyl}-3-nitrobenzamide?
The CAS number of N-{[4-(dimethylamino)phenyl]carbamothioyl}-3-nitrobenzamide is 428494-31-9.
What is the molecular formula of N-{[4-(dimethylamino)phenyl]carbamothioyl}-3-nitrobenzamide?
The molecular formula of N-{[4-(dimethylamino)phenyl]carbamothioyl}-3-nitrobenzamide is C16H16N4O3S.
What is the molecular weight of N-{[4-(dimethylamino)phenyl]carbamothioyl}-3-nitrobenzamide?
The molecular weight of N-{[4-(dimethylamino)phenyl]carbamothioyl}-3-nitrobenzamide is 344.09 g/mol.
Where can I buy N-{[4-(dimethylamino)phenyl]carbamothioyl}-3-nitrobenzamide?
You can request a quote for N-{[4-(dimethylamino)phenyl]carbamothioyl}-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-{[4-(dimethylamino)phenyl]carbamothioyl}-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[4-(dimethylamino)phenyl]carbamothioyl}-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.