N-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide
TL;DR: N-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide (CAS 708993-92-4) is a chemical compound with molecular formula C12H14ClFN2OS and molecular weight 288.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide
Also Known As: N-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide, 1-{[(3-chloro-4-fluorophenyl)amino]thioxomethyl}piperidin-4-ol, N-(3-CHLORO-4-FLUOROPHENYL)-4-HYDROXYTETRAHYDRO-1(2H)-PYRIDINECARBOTHIOAMIDE
| Molecular Formula | C12H14ClFN2OS |
|---|---|
| Molecular Weight | 288.05 g/mol |
| LogP | 2.6326 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.04993 |
| Heavy Atoms | 18 |
| Complexity | 449.70358 |
Chemical Identifiers
| CAS Number | 708993-92-4 |
|---|---|
| SMILES | C1CN(CCC1O)C(=S)NC2=CC(=C(C=C2)F)Cl |
Product Overview
N-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide (CAS 708993-92-4), with molecular formula C12H14ClFN2OS and molecular weight 288.05 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide.
Chemical Property Profile of N-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide
Property Insights of N-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide
The XLogP value of 2.6326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide. With a topological polar surface area (TPSA) of 35.5 Ų, N-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-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-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide?
The CAS number of N-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide is 708993-92-4.
What is the molecular formula of N-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide?
The molecular formula of N-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide is C12H14ClFN2OS.
What is the molecular weight of N-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide?
The molecular weight of N-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide is 288.05 g/mol.
Where can I buy N-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide?
You can request a quote for N-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-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-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.