![Methyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]benzoate structure](/static/products/865/865655-84-1.png)
Methyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]benzoate
TL;DR: Methyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]benzoate (CAS 865655-84-1) is a chemical compound with molecular formula C21H24N2O2S and molecular weight 368.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]benzoate
Also Known As: methyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]benzoate, methyl 2-(4-benzylpiperidine-1-carbothioamido)benzoate, F1601-0129, methyl 2-{[(4-benzylpiperidin-1-yl)carbonothioyl]amino}benzoate
| Molecular Formula | C21H24N2O2S |
|---|---|
| Molecular Weight | 368.16 g/mol |
| LogP | 4.1247 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.15585 |
| Heavy Atoms | 26 |
| Complexity | 755.6162 |
Chemical Identifiers
| CAS Number | 865655-84-1 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=S)N2CCC(CC2)CC3=CC=CC=C3 |
Product Overview
Methyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]benzoate (CAS 865655-84-1), with molecular formula C21H24N2O2S and molecular weight 368.16 g/mol. IUPAC: methyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]benzoate.
Chemical Property Profile of Methyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]benzoate
Property Insights of Methyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]benzoate
The XLogP value of 4.1247 indicates that Methyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, Methyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]benzoate has 1 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 Methyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]benzoate?
The CAS number of Methyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]benzoate is 865655-84-1.
What is the molecular formula of Methyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]benzoate?
The molecular formula of Methyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]benzoate is C21H24N2O2S.
What is the molecular weight of Methyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]benzoate?
The molecular weight of Methyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]benzoate is 368.16 g/mol.
Where can I buy Methyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]benzoate?
You can request a quote for Methyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.