![2-methyl-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide structure](/static/products/4016/401617-91-2.webp)
2-methyl-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide
TL;DR: 2-methyl-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide (CAS 401617-91-2) is a chemical compound with molecular formula C18H19N3O2S and molecular weight 341.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide
Also Known As: BAS 02820755, AB00107288-01, 2-methyl-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide, 2-methyl-N-{[4-(propanoylamino)phenyl]carbamothioyl}benzamide, N-{4-[3-(2-Methyl-benzoyl)-thioureido]-phenyl}-propionamide
| Molecular Formula | C18H19N3O2S |
|---|---|
| Molecular Weight | 341.12 g/mol |
| LogP | 3.47032 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.1198 |
| Heavy Atoms | 24 |
| Complexity | 757.11414 |
Chemical Identifiers
| CAS Number | 401617-91-2 |
|---|---|
| SMILES | CCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2C |
Product Overview
2-methyl-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide (CAS 401617-91-2), with molecular formula C18H19N3O2S and molecular weight 341.12 g/mol. IUPAC: 2-methyl-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of 2-methyl-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide
Property Insights of 2-methyl-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide
The XLogP value of 3.47032 indicates that 2-methyl-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide. Following Lipinski's Rule of Five, 2-methyl-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide has 3 hydrogen bond donor(s) and 3 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-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide?
The CAS number of 2-methyl-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide is 401617-91-2.
What is the molecular formula of 2-methyl-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide?
The molecular formula of 2-methyl-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide is C18H19N3O2S.
What is the molecular weight of 2-methyl-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide?
The molecular weight of 2-methyl-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide is 341.12 g/mol.
Where can I buy 2-methyl-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide?
You can request a quote for 2-methyl-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-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.