N-(4-chloro-2-methylphenyl)-4-hydroxypiperidine-1-carbothioamide
TL;DR: N-(4-chloro-2-methylphenyl)-4-hydroxypiperidine-1-carbothioamide (CAS 516459-70-4) is a chemical compound with molecular formula C13H17ClN2OS and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2-methylphenyl)-4-hydroxypiperidine-1-carbothioamide
Also Known As: N-(4-chloro-2-methylphenyl)-4-hydroxypiperidine-1-carbothioamide, AJ-292/42035062, N-(4-chloro-2-methylphenyl)-4-hydroxy-1-piperidinecarbothioamide
| Molecular Formula | C13H17ClN2OS |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 2.80192 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.075 |
| Heavy Atoms | 18 |
| Complexity | 444.61743 |
Chemical Identifiers
| CAS Number | 516459-70-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)NC(=S)N2CCC(CC2)O |
Product Overview
N-(4-chloro-2-methylphenyl)-4-hydroxypiperidine-1-carbothioamide (CAS 516459-70-4), with molecular formula C13H17ClN2OS and molecular weight 284.07 g/mol. IUPAC: N-(4-chloro-2-methylphenyl)-4-hydroxypiperidine-1-carbothioamide.
Chemical Property Profile of N-(4-chloro-2-methylphenyl)-4-hydroxypiperidine-1-carbothioamide
Property Insights of N-(4-chloro-2-methylphenyl)-4-hydroxypiperidine-1-carbothioamide
The XLogP value of 2.80192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-chloro-2-methylphenyl)-4-hydroxypiperidine-1-carbothioamide. With a topological polar surface area (TPSA) of 35.5 Ų, N-(4-chloro-2-methylphenyl)-4-hydroxypiperidine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-chloro-2-methylphenyl)-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-(4-chloro-2-methylphenyl)-4-hydroxypiperidine-1-carbothioamide?
The CAS number of N-(4-chloro-2-methylphenyl)-4-hydroxypiperidine-1-carbothioamide is 516459-70-4.
What is the molecular formula of N-(4-chloro-2-methylphenyl)-4-hydroxypiperidine-1-carbothioamide?
The molecular formula of N-(4-chloro-2-methylphenyl)-4-hydroxypiperidine-1-carbothioamide is C13H17ClN2OS.
What is the molecular weight of N-(4-chloro-2-methylphenyl)-4-hydroxypiperidine-1-carbothioamide?
The molecular weight of N-(4-chloro-2-methylphenyl)-4-hydroxypiperidine-1-carbothioamide is 284.07 g/mol.
Where can I buy N-(4-chloro-2-methylphenyl)-4-hydroxypiperidine-1-carbothioamide?
You can request a quote for N-(4-chloro-2-methylphenyl)-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-(4-chloro-2-methylphenyl)-4-hydroxypiperidine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chloro-2-methylphenyl)-4-hydroxypiperidine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.