![2-methyl-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide structure](/static/products/4296/429654-72-8.webp)
2-methyl-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide
TL;DR: 2-methyl-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide (CAS 429654-72-8) is a chemical compound with molecular formula C18H18N4O4S and molecular weight 386.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide
Also Known As: AB00112064-01, 2-methyl-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide, 2-methyl-3-nitro-N-{[4-(propanoylamino)phenyl]carbamothioyl}benzamide
| Molecular Formula | C18H18N4O4S |
|---|---|
| Molecular Weight | 386.10 g/mol |
| LogP | 3.37852 |
| Topological Polar Surface Area | 113.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.1049 |
| Heavy Atoms | 27 |
| Complexity | 896.7347 |
Chemical Identifiers
| CAS Number | 429654-72-8 |
|---|---|
| SMILES | CCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C |
Product Overview
2-methyl-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide (CAS 429654-72-8), with molecular formula C18H18N4O4S and molecular weight 386.10 g/mol. IUPAC: 2-methyl-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of 2-methyl-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide
Property Insights of 2-methyl-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide
The XLogP value of 3.37852 indicates that 2-methyl-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide. Following Lipinski's Rule of Five, 2-methyl-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide has 3 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 2-methyl-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide?
The CAS number of 2-methyl-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide is 429654-72-8.
What is the molecular formula of 2-methyl-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide?
The molecular formula of 2-methyl-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide is C18H18N4O4S.
What is the molecular weight of 2-methyl-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide?
The molecular weight of 2-methyl-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide is 386.10 g/mol.
Where can I buy 2-methyl-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide?
You can request a quote for 2-methyl-3-nitro-N-[[4-(propanoylamino)phenyl]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-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.