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N-[(2-methyl-3-nitrophenyl)carbamothioyl]-2,2-diphenylacetamide
TL;DR: N-[(2-methyl-3-nitrophenyl)carbamothioyl]-2,2-diphenylacetamide (CAS 642956-44-3) 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-[(2-methyl-3-nitrophenyl)carbamothioyl]-2,2-diphenylacetamide
Also Known As: N-[(2-methyl-3-nitrophenyl)carbamothioyl]-2,2-diphenylacetamide, N-{[(2-methyl-3-nitrophenyl)amino]carbonothioyl}-2,2-diphenylacetamide
| Molecular Formula | C22H19N3O3S |
|---|---|
| Molecular Weight | 405.11 g/mol |
| LogP | 4.54832 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.11472 |
| Heavy Atoms | 29 |
| Complexity | 1000.18286 |
Chemical Identifiers
| CAS Number | 642956-44-3 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
N-[(2-methyl-3-nitrophenyl)carbamothioyl]-2,2-diphenylacetamide (CAS 642956-44-3), with molecular formula C22H19N3O3S and molecular weight 405.11 g/mol. IUPAC: N-[(2-methyl-3-nitrophenyl)carbamothioyl]-2,2-diphenylacetamide.
Chemical Property Profile of N-[(2-methyl-3-nitrophenyl)carbamothioyl]-2,2-diphenylacetamide
Property Insights of N-[(2-methyl-3-nitrophenyl)carbamothioyl]-2,2-diphenylacetamide
The XLogP value of 4.54832 indicates that N-[(2-methyl-3-nitrophenyl)carbamothioyl]-2,2-diphenylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2-methyl-3-nitrophenyl)carbamothioyl]-2,2-diphenylacetamide. Following Lipinski's Rule of Five, N-[(2-methyl-3-nitrophenyl)carbamothioyl]-2,2-diphenylacetamide has 2 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-[(2-methyl-3-nitrophenyl)carbamothioyl]-2,2-diphenylacetamide?
The CAS number of N-[(2-methyl-3-nitrophenyl)carbamothioyl]-2,2-diphenylacetamide is 642956-44-3.
What is the molecular formula of N-[(2-methyl-3-nitrophenyl)carbamothioyl]-2,2-diphenylacetamide?
The molecular formula of N-[(2-methyl-3-nitrophenyl)carbamothioyl]-2,2-diphenylacetamide is C22H19N3O3S.
What is the molecular weight of N-[(2-methyl-3-nitrophenyl)carbamothioyl]-2,2-diphenylacetamide?
The molecular weight of N-[(2-methyl-3-nitrophenyl)carbamothioyl]-2,2-diphenylacetamide is 405.11 g/mol.
Where can I buy N-[(2-methyl-3-nitrophenyl)carbamothioyl]-2,2-diphenylacetamide?
You can request a quote for N-[(2-methyl-3-nitrophenyl)carbamothioyl]-2,2-diphenylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2-methyl-3-nitrophenyl)carbamothioyl]-2,2-diphenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2-methyl-3-nitrophenyl)carbamothioyl]-2,2-diphenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.