![2-methyl-3-nitro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide structure](/static/products/4296/429640-22-2.webp)
2-methyl-3-nitro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
TL;DR: 2-methyl-3-nitro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide (CAS 429640-22-2) is a chemical compound with molecular formula C15H10Cl3N3O3S and molecular weight 416.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-nitro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
Also Known As: 2-methyl-3-nitro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide, AB00111131-01, 2-methyl-3-nitro-N-[(2,4,5-trichlorophenyl)thiocarbamoyl]benzamide
| Molecular Formula | C15H10Cl3N3O3S |
|---|---|
| Molecular Weight | 416.95 g/mol |
| LogP | 4.99022 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.95084 |
| Heavy Atoms | 25 |
| Complexity | 889.81067 |
Chemical Identifiers
| CAS Number | 429640-22-2 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC(=C(C=C2Cl)Cl)Cl |
Product Overview
2-methyl-3-nitro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide (CAS 429640-22-2), with molecular formula C15H10Cl3N3O3S and molecular weight 416.95 g/mol. IUPAC: 2-methyl-3-nitro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide.
Chemical Property Profile of 2-methyl-3-nitro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
Property Insights of 2-methyl-3-nitro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
The XLogP value of 4.99022 indicates that 2-methyl-3-nitro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide 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 2-methyl-3-nitro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 2-methyl-3-nitro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide 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 2-methyl-3-nitro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide?
The CAS number of 2-methyl-3-nitro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide is 429640-22-2.
What is the molecular formula of 2-methyl-3-nitro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide?
The molecular formula of 2-methyl-3-nitro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide is C15H10Cl3N3O3S.
What is the molecular weight of 2-methyl-3-nitro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide?
The molecular weight of 2-methyl-3-nitro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide is 416.95 g/mol.
Where can I buy 2-methyl-3-nitro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide?
You can request a quote for 2-methyl-3-nitro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-3-nitro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-3-nitro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.