N-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide
TL;DR: N-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide (CAS 454231-94-8) is a chemical compound with molecular formula C13H17FN2OS and molecular weight 268.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide
Also Known As: N-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide, AJ-292/42035091, N-(4-fluorophenyl)-3-(hydroxymethyl)-1-piperidinecarbothioamide
| Molecular Formula | C13H17FN2OS |
|---|---|
| Molecular Weight | 268.10 g/mol |
| LogP | 2.2268 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.10455 |
| Heavy Atoms | 18 |
| Complexity | 409.9572 |
Chemical Identifiers
| CAS Number | 454231-94-8 |
|---|---|
| SMILES | C1CC(CN(C1)C(=S)NC2=CC=C(C=C2)F)CO |
Product Overview
N-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide (CAS 454231-94-8), with molecular formula C13H17FN2OS and molecular weight 268.10 g/mol. IUPAC: N-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide.
Chemical Property Profile of N-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide
Property Insights of N-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide
The XLogP value of 2.2268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide. With a topological polar surface area (TPSA) of 35.5 Ų, N-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-fluorophenyl)-3-(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-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide?
The CAS number of N-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide is 454231-94-8.
What is the molecular formula of N-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide?
The molecular formula of N-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide is C13H17FN2OS.
What is the molecular weight of N-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide?
The molecular weight of N-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide is 268.10 g/mol.
Where can I buy N-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide?
You can request a quote for N-(4-fluorophenyl)-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-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.