N-(3,4-dimethylphenyl)-2-(hydroxymethyl)piperidine-1-carbothioamide
TL;DR: N-(3,4-dimethylphenyl)-2-(hydroxymethyl)piperidine-1-carbothioamide (CAS 708243-60-1) is a chemical compound with molecular formula C15H22N2OS and molecular weight 278.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethylphenyl)-2-(hydroxymethyl)piperidine-1-carbothioamide
Also Known As: N-(3,4-dimethylphenyl)-2-(hydroxymethyl)piperidine-1-carbothioamide, N-(3,4-dimethylphenyl)-2-(hydroxymethyl)-1-piperidinecarbothioamide
| Molecular Formula | C15H22N2OS |
|---|---|
| Molecular Weight | 278.15 g/mol |
| LogP | 2.84704 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.1453 |
| Heavy Atoms | 19 |
| Complexity | 461.45883 |
Chemical Identifiers
| CAS Number | 708243-60-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=S)N2CCCCC2CO)C |
Product Overview
N-(3,4-dimethylphenyl)-2-(hydroxymethyl)piperidine-1-carbothioamide (CAS 708243-60-1), with molecular formula C15H22N2OS and molecular weight 278.15 g/mol. IUPAC: N-(3,4-dimethylphenyl)-2-(hydroxymethyl)piperidine-1-carbothioamide.
Chemical Property Profile of N-(3,4-dimethylphenyl)-2-(hydroxymethyl)piperidine-1-carbothioamide
Property Insights of N-(3,4-dimethylphenyl)-2-(hydroxymethyl)piperidine-1-carbothioamide
The XLogP value of 2.84704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,4-dimethylphenyl)-2-(hydroxymethyl)piperidine-1-carbothioamide. With a topological polar surface area (TPSA) of 35.5 Ų, N-(3,4-dimethylphenyl)-2-(hydroxymethyl)piperidine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,4-dimethylphenyl)-2-(hydroxymethyl)piperidine-1-carbothioamide 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-(3,4-dimethylphenyl)-2-(hydroxymethyl)piperidine-1-carbothioamide?
The CAS number of N-(3,4-dimethylphenyl)-2-(hydroxymethyl)piperidine-1-carbothioamide is 708243-60-1.
What is the molecular formula of N-(3,4-dimethylphenyl)-2-(hydroxymethyl)piperidine-1-carbothioamide?
The molecular formula of N-(3,4-dimethylphenyl)-2-(hydroxymethyl)piperidine-1-carbothioamide is C15H22N2OS.
What is the molecular weight of N-(3,4-dimethylphenyl)-2-(hydroxymethyl)piperidine-1-carbothioamide?
The molecular weight of N-(3,4-dimethylphenyl)-2-(hydroxymethyl)piperidine-1-carbothioamide is 278.15 g/mol.
Where can I buy N-(3,4-dimethylphenyl)-2-(hydroxymethyl)piperidine-1-carbothioamide?
You can request a quote for N-(3,4-dimethylphenyl)-2-(hydroxymethyl)piperidine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-dimethylphenyl)-2-(hydroxymethyl)piperidine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dimethylphenyl)-2-(hydroxymethyl)piperidine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.