N-cyclohexyl-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide
TL;DR: N-cyclohexyl-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide (CAS 430471-87-7) is a chemical compound with molecular formula C19H29N3S and molecular weight 331.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexyl-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide
Also Known As: N-cyclohexyl-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide, N-cyclohexyl-4-(2,5-dimethylphenyl)-1-piperazinecarbothioamide
| Molecular Formula | C19H29N3S |
|---|---|
| Molecular Weight | 331.21 g/mol |
| LogP | 3.63264 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.20822 |
| Heavy Atoms | 23 |
| Complexity | 543.5458 |
Chemical Identifiers
| CAS Number | 430471-87-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=S)NC3CCCCC3 |
Product Overview
N-cyclohexyl-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide (CAS 430471-87-7), with molecular formula C19H29N3S and molecular weight 331.21 g/mol. IUPAC: N-cyclohexyl-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide.
Chemical Property Profile of N-cyclohexyl-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide
Property Insights of N-cyclohexyl-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide
The XLogP value of 3.63264 indicates that N-cyclohexyl-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.51 Ų, N-cyclohexyl-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-cyclohexyl-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide has 1 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-cyclohexyl-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide?
The CAS number of N-cyclohexyl-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide is 430471-87-7.
What is the molecular formula of N-cyclohexyl-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide?
The molecular formula of N-cyclohexyl-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide is C19H29N3S.
What is the molecular weight of N-cyclohexyl-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide?
The molecular weight of N-cyclohexyl-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide is 331.21 g/mol.
Where can I buy N-cyclohexyl-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide?
You can request a quote for N-cyclohexyl-4-(2,5-dimethylphenyl)piperazine-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-cyclohexyl-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-cyclohexyl-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.