N-(4-chloro-2-methylphenyl)-3-methylpiperidine-1-carbothioamide
TL;DR: N-(4-chloro-2-methylphenyl)-3-methylpiperidine-1-carbothioamide (CAS 516459-97-5) is a chemical compound with molecular formula C14H19ClN2S and molecular weight 282.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2-methylphenyl)-3-methylpiperidine-1-carbothioamide
Also Known As: N-(4-chloro-2-methylphenyl)-3-methylpiperidine-1-carbothioamide, AJ-292/42035048, [(4-chloro-2-methylphenyl)amino](3-methylpiperidyl)methane-1-thione, N-(4-chloro-2-methylphenyl)-3-methyl-1-piperidinecarbothioamide, N-(4-CHLORO-2-METHYLPHENYL)-3-METHYLTETRAHYDRO-1(2H)-PYRIDINECARBOTHIOAMIDE
| Molecular Formula | C14H19ClN2S |
|---|---|
| Molecular Weight | 282.10 g/mol |
| LogP | 4.07712 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.09573 |
| Heavy Atoms | 18 |
| Complexity | 447.42017 |
Chemical Identifiers
| CAS Number | 516459-97-5 |
|---|---|
| SMILES | CC1CCCN(C1)C(=S)NC2=C(C=C(C=C2)Cl)C |
Product Overview
N-(4-chloro-2-methylphenyl)-3-methylpiperidine-1-carbothioamide (CAS 516459-97-5), with molecular formula C14H19ClN2S and molecular weight 282.10 g/mol. IUPAC: N-(4-chloro-2-methylphenyl)-3-methylpiperidine-1-carbothioamide.
Chemical Property Profile of N-(4-chloro-2-methylphenyl)-3-methylpiperidine-1-carbothioamide
Property Insights of N-(4-chloro-2-methylphenyl)-3-methylpiperidine-1-carbothioamide
The XLogP value of 4.07712 indicates that N-(4-chloro-2-methylphenyl)-3-methylpiperidine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.27 Ų, N-(4-chloro-2-methylphenyl)-3-methylpiperidine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-chloro-2-methylphenyl)-3-methylpiperidine-1-carbothioamide has 1 hydrogen bond donor(s) and 1 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)-3-methylpiperidine-1-carbothioamide?
The CAS number of N-(4-chloro-2-methylphenyl)-3-methylpiperidine-1-carbothioamide is 516459-97-5.
What is the molecular formula of N-(4-chloro-2-methylphenyl)-3-methylpiperidine-1-carbothioamide?
The molecular formula of N-(4-chloro-2-methylphenyl)-3-methylpiperidine-1-carbothioamide is C14H19ClN2S.
What is the molecular weight of N-(4-chloro-2-methylphenyl)-3-methylpiperidine-1-carbothioamide?
The molecular weight of N-(4-chloro-2-methylphenyl)-3-methylpiperidine-1-carbothioamide is 282.10 g/mol.
Where can I buy N-(4-chloro-2-methylphenyl)-3-methylpiperidine-1-carbothioamide?
You can request a quote for N-(4-chloro-2-methylphenyl)-3-methylpiperidine-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)-3-methylpiperidine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chloro-2-methylphenyl)-3-methylpiperidine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.