N-(3,5-dimethoxyphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide
TL;DR: N-(3,5-dimethoxyphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide (CAS 516459-62-4) is a chemical compound with molecular formula C15H22N2O3S and molecular weight 310.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dimethoxyphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide
Also Known As: N-(3,5-dimethoxyphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide, (1-{[(3,5-dimethoxyphenyl)amino]thioxomethyl}-3-piperidyl)methan-1-ol, N-(3,5-dimethoxyphenyl)-3-(hydroxymethyl)-1-piperidinecarbothioamide, N-(3,5-DIMETHOXYPHENYL)-3-(HYDROXYMETHYL)TETRAHYDRO-1(2H)-PYRIDINECARBOTHIOAMIDE
| Molecular Formula | C15H22N2O3S |
|---|---|
| Molecular Weight | 310.14 g/mol |
| LogP | 2.1049 |
| Topological Polar Surface Area | 53.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.1351 |
| Heavy Atoms | 21 |
| Complexity | 473.55713 |
Chemical Identifiers
| CAS Number | 516459-62-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)NC(=S)N2CCCC(C2)CO)OC |
Product Overview
N-(3,5-dimethoxyphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide (CAS 516459-62-4), with molecular formula C15H22N2O3S and molecular weight 310.14 g/mol. IUPAC: N-(3,5-dimethoxyphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide.
Chemical Property Profile of N-(3,5-dimethoxyphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide
Property Insights of N-(3,5-dimethoxyphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide
The XLogP value of 2.1049 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,5-dimethoxyphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide. With a topological polar surface area (TPSA) of 53.96 Ų, N-(3,5-dimethoxyphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,5-dimethoxyphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide has 2 hydrogen bond donor(s) and 4 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-(3,5-dimethoxyphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide?
The CAS number of N-(3,5-dimethoxyphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide is 516459-62-4.
What is the molecular formula of N-(3,5-dimethoxyphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide?
The molecular formula of N-(3,5-dimethoxyphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide is C15H22N2O3S.
What is the molecular weight of N-(3,5-dimethoxyphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide?
The molecular weight of N-(3,5-dimethoxyphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide is 310.14 g/mol.
Where can I buy N-(3,5-dimethoxyphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide?
You can request a quote for N-(3,5-dimethoxyphenyl)-3-(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-(3,5-dimethoxyphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,5-dimethoxyphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.