N-tert-butyl-4-(4-methoxyphenyl)piperazine-1-carbothioamide
TL;DR: N-tert-butyl-4-(4-methoxyphenyl)piperazine-1-carbothioamide (CAS 439107-70-7) is a chemical compound with molecular formula C16H25N3OS and molecular weight 307.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-4-(4-methoxyphenyl)piperazine-1-carbothioamide
Also Known As: N-tert-butyl-4-(4-methoxyphenyl)piperazine-1-carbothioamide, 3T-0893, N-(tert-butyl)-4-(4-methoxyphenyl)tetrahydro-1(2H)-pyrazinecarbothioamide
| Molecular Formula | C16H25N3OS |
|---|---|
| Molecular Weight | 307.17 g/mol |
| LogP | 2.4902 |
| Topological Polar Surface Area | 27.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.17184 |
| Heavy Atoms | 21 |
| Complexity | 473.29062 |
Chemical Identifiers
| CAS Number | 439107-70-7 |
|---|---|
| SMILES | CC(C)(C)NC(=S)N1CCN(CC1)C2=CC=C(C=C2)OC |
Product Overview
N-tert-butyl-4-(4-methoxyphenyl)piperazine-1-carbothioamide (CAS 439107-70-7), with molecular formula C16H25N3OS and molecular weight 307.17 g/mol. IUPAC: N-tert-butyl-4-(4-methoxyphenyl)piperazine-1-carbothioamide.
Chemical Property Profile of N-tert-butyl-4-(4-methoxyphenyl)piperazine-1-carbothioamide
Property Insights of N-tert-butyl-4-(4-methoxyphenyl)piperazine-1-carbothioamide
The XLogP value of 2.4902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-butyl-4-(4-methoxyphenyl)piperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 27.74 Ų, N-tert-butyl-4-(4-methoxyphenyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-tert-butyl-4-(4-methoxyphenyl)piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 3 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-tert-butyl-4-(4-methoxyphenyl)piperazine-1-carbothioamide?
The CAS number of N-tert-butyl-4-(4-methoxyphenyl)piperazine-1-carbothioamide is 439107-70-7.
What is the molecular formula of N-tert-butyl-4-(4-methoxyphenyl)piperazine-1-carbothioamide?
The molecular formula of N-tert-butyl-4-(4-methoxyphenyl)piperazine-1-carbothioamide is C16H25N3OS.
What is the molecular weight of N-tert-butyl-4-(4-methoxyphenyl)piperazine-1-carbothioamide?
The molecular weight of N-tert-butyl-4-(4-methoxyphenyl)piperazine-1-carbothioamide is 307.17 g/mol.
Where can I buy N-tert-butyl-4-(4-methoxyphenyl)piperazine-1-carbothioamide?
You can request a quote for N-tert-butyl-4-(4-methoxyphenyl)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-tert-butyl-4-(4-methoxyphenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-tert-butyl-4-(4-methoxyphenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.