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N-[benzyl(methyl)carbamothioyl]-4-methylbenzamide
TL;DR: N-[benzyl(methyl)carbamothioyl]-4-methylbenzamide (CAS 649733-97-1) is a chemical compound with molecular formula C17H18N2OS and molecular weight 298.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[benzyl(methyl)carbamothioyl]-4-methylbenzamide
Also Known As: N-[benzyl(methyl)carbamothioyl]-4-methylbenzamide, N-benzyl-N-methyl-N'-(4-methylbenzoyl)thiourea, AN-329/41769849, N-{[benzyl(methyl)amino]carbonothioyl}-4-methylbenzamide
| Molecular Formula | C17H18N2OS |
|---|---|
| Molecular Weight | 298.11 g/mol |
| LogP | 3.14172 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.11398 |
| Heavy Atoms | 21 |
| Complexity | 622.99817 |
Chemical Identifiers
| CAS Number | 649733-97-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(=S)N(C)CC2=CC=CC=C2 |
Product Overview
N-[benzyl(methyl)carbamothioyl]-4-methylbenzamide (CAS 649733-97-1), with molecular formula C17H18N2OS and molecular weight 298.11 g/mol. IUPAC: N-[benzyl(methyl)carbamothioyl]-4-methylbenzamide.
Chemical Property Profile of N-[benzyl(methyl)carbamothioyl]-4-methylbenzamide
Property Insights of N-[benzyl(methyl)carbamothioyl]-4-methylbenzamide
The XLogP value of 3.14172 indicates that N-[benzyl(methyl)carbamothioyl]-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, N-[benzyl(methyl)carbamothioyl]-4-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[benzyl(methyl)carbamothioyl]-4-methylbenzamide has 1 hydrogen bond donor(s) and 2 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-[benzyl(methyl)carbamothioyl]-4-methylbenzamide?
The CAS number of N-[benzyl(methyl)carbamothioyl]-4-methylbenzamide is 649733-97-1.
What is the molecular formula of N-[benzyl(methyl)carbamothioyl]-4-methylbenzamide?
The molecular formula of N-[benzyl(methyl)carbamothioyl]-4-methylbenzamide is C17H18N2OS.
What is the molecular weight of N-[benzyl(methyl)carbamothioyl]-4-methylbenzamide?
The molecular weight of N-[benzyl(methyl)carbamothioyl]-4-methylbenzamide is 298.11 g/mol.
Where can I buy N-[benzyl(methyl)carbamothioyl]-4-methylbenzamide?
You can request a quote for N-[benzyl(methyl)carbamothioyl]-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[benzyl(methyl)carbamothioyl]-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[benzyl(methyl)carbamothioyl]-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.