N-(benzylcarbamothioyl)-2-methylbenzamide
TL;DR: N-(benzylcarbamothioyl)-2-methylbenzamide (CAS 431069-86-2) is a chemical compound with molecular formula C16H16N2OS and molecular weight 284.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(benzylcarbamothioyl)-2-methylbenzamide
Also Known As: 1-benzyl-3-(2-methylbenzoyl)thiourea, N-(benzylcarbamothioyl)-2-methylbenzamide, N-benzyl-N'-(2-methylbenzoyl)thiourea, AB00114597-01, N-[(benzylamino)carbonothioyl]-2-methylbenzamide
| Molecular Formula | C16H16N2OS |
|---|---|
| Molecular Weight | 284.10 g/mol |
| LogP | 2.79952 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.09833 |
| Heavy Atoms | 20 |
| Complexity | 610.8837 |
Chemical Identifiers
| CAS Number | 431069-86-2 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NC(=S)NCC2=CC=CC=C2 |
Product Overview
N-(benzylcarbamothioyl)-2-methylbenzamide (CAS 431069-86-2), with molecular formula C16H16N2OS and molecular weight 284.10 g/mol. IUPAC: N-(benzylcarbamothioyl)-2-methylbenzamide.
Chemical Property Profile of N-(benzylcarbamothioyl)-2-methylbenzamide
Property Insights of N-(benzylcarbamothioyl)-2-methylbenzamide
The XLogP value of 2.79952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(benzylcarbamothioyl)-2-methylbenzamide. With a topological polar surface area (TPSA) of 41.13 Ų, N-(benzylcarbamothioyl)-2-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(benzylcarbamothioyl)-2-methylbenzamide has 2 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-(benzylcarbamothioyl)-2-methylbenzamide?
The CAS number of N-(benzylcarbamothioyl)-2-methylbenzamide is 431069-86-2.
What is the molecular formula of N-(benzylcarbamothioyl)-2-methylbenzamide?
The molecular formula of N-(benzylcarbamothioyl)-2-methylbenzamide is C16H16N2OS.
What is the molecular weight of N-(benzylcarbamothioyl)-2-methylbenzamide?
The molecular weight of N-(benzylcarbamothioyl)-2-methylbenzamide is 284.10 g/mol.
Where can I buy N-(benzylcarbamothioyl)-2-methylbenzamide?
You can request a quote for N-(benzylcarbamothioyl)-2-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(benzylcarbamothioyl)-2-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(benzylcarbamothioyl)-2-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.