4-methyl-N-(2-methylpropylcarbamothioyl)benzamide
TL;DR: 4-methyl-N-(2-methylpropylcarbamothioyl)benzamide (CAS 431069-56-6) is a chemical compound with molecular formula C13H18N2OS and molecular weight 250.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-(2-methylpropylcarbamothioyl)benzamide
Also Known As: 4-methyl-N-(2-methylpropylcarbamothioyl)benzamide, AB00114590-01, 4-methyl-N-[(2-methylpropyl)carbamothioyl]benzamide
| Molecular Formula | C13H18N2OS |
|---|---|
| Molecular Weight | 250.11 g/mol |
| LogP | 2.25532 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.11398 |
| Heavy Atoms | 17 |
| Complexity | 398.3854 |
Chemical Identifiers
| CAS Number | 431069-56-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(=S)NCC(C)C |
Product Overview
4-methyl-N-(2-methylpropylcarbamothioyl)benzamide (CAS 431069-56-6), with molecular formula C13H18N2OS and molecular weight 250.11 g/mol. IUPAC: 4-methyl-N-(2-methylpropylcarbamothioyl)benzamide.
Chemical Property Profile of 4-methyl-N-(2-methylpropylcarbamothioyl)benzamide
Property Insights of 4-methyl-N-(2-methylpropylcarbamothioyl)benzamide
The XLogP value of 2.25532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-N-(2-methylpropylcarbamothioyl)benzamide. With a topological polar surface area (TPSA) of 41.13 Ų, 4-methyl-N-(2-methylpropylcarbamothioyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-N-(2-methylpropylcarbamothioyl)benzamide 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 4-methyl-N-(2-methylpropylcarbamothioyl)benzamide?
The CAS number of 4-methyl-N-(2-methylpropylcarbamothioyl)benzamide is 431069-56-6.
What is the molecular formula of 4-methyl-N-(2-methylpropylcarbamothioyl)benzamide?
The molecular formula of 4-methyl-N-(2-methylpropylcarbamothioyl)benzamide is C13H18N2OS.
What is the molecular weight of 4-methyl-N-(2-methylpropylcarbamothioyl)benzamide?
The molecular weight of 4-methyl-N-(2-methylpropylcarbamothioyl)benzamide is 250.11 g/mol.
Where can I buy 4-methyl-N-(2-methylpropylcarbamothioyl)benzamide?
You can request a quote for 4-methyl-N-(2-methylpropylcarbamothioyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-N-(2-methylpropylcarbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-N-(2-methylpropylcarbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.