![4-tert-butyl-N-[(4-methylpiperidin-1-yl)carbothioyl]benzamide structure](/static/products/501/501111-69-9.png)
4-tert-butyl-N-[(4-methylpiperidin-1-yl)carbothioyl]benzamide
TL;DR: 4-tert-butyl-N-[(4-methylpiperidin-1-yl)carbothioyl]benzamide (CAS 501111-69-9) is a chemical compound with molecular formula C18H26N2OS and molecular weight 318.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-(4-methylpiperidine-1-carbothioyl)benzamide
Also Known As: 4-tert-butyl-N-[(4-methylpiperidin-1-yl)carbothioyl]benzamide, AN-329/41561666, 4-tert-butyl-N-(4-methylpiperidine-1-carbothioyl)benzamide, 4-tert-butyl-N-[(4-methyl-1-piperidinyl)carbonothioyl]benzamide, 4-tert-butyl-N-[(4-methylpiperidin-1-yl)carbonothioyl]benzamide
| Molecular Formula | C18H26N2OS |
|---|---|
| Molecular Weight | 318.18 g/mol |
| LogP | 3.7307 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.17657 |
| Heavy Atoms | 22 |
| Complexity | 537.20074 |
Chemical Identifiers
| CAS Number | 501111-69-9 |
|---|---|
| SMILES | CC1CCN(CC1)C(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C |
Product Overview
4-tert-butyl-N-[(4-methylpiperidin-1-yl)carbothioyl]benzamide (CAS 501111-69-9), with molecular formula C18H26N2OS and molecular weight 318.18 g/mol. IUPAC: 4-tert-butyl-N-(4-methylpiperidine-1-carbothioyl)benzamide.
Chemical Property Profile of 4-tert-butyl-N-[(4-methylpiperidin-1-yl)carbothioyl]benzamide
Property Insights of 4-tert-butyl-N-[(4-methylpiperidin-1-yl)carbothioyl]benzamide
The XLogP value of 3.7307 indicates that 4-tert-butyl-N-[(4-methylpiperidin-1-yl)carbothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, 4-tert-butyl-N-[(4-methylpiperidin-1-yl)carbothioyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-butyl-N-[(4-methylpiperidin-1-yl)carbothioyl]benzamide 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 4-tert-butyl-N-[(4-methylpiperidin-1-yl)carbothioyl]benzamide?
The CAS number of 4-tert-butyl-N-[(4-methylpiperidin-1-yl)carbothioyl]benzamide is 501111-69-9.
What is the molecular formula of 4-tert-butyl-N-[(4-methylpiperidin-1-yl)carbothioyl]benzamide?
The molecular formula of 4-tert-butyl-N-[(4-methylpiperidin-1-yl)carbothioyl]benzamide is C18H26N2OS.
What is the molecular weight of 4-tert-butyl-N-[(4-methylpiperidin-1-yl)carbothioyl]benzamide?
The molecular weight of 4-tert-butyl-N-[(4-methylpiperidin-1-yl)carbothioyl]benzamide is 318.18 g/mol.
Where can I buy 4-tert-butyl-N-[(4-methylpiperidin-1-yl)carbothioyl]benzamide?
You can request a quote for 4-tert-butyl-N-[(4-methylpiperidin-1-yl)carbothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-butyl-N-[(4-methylpiperidin-1-yl)carbothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butyl-N-[(4-methylpiperidin-1-yl)carbothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.