N-(4-bromophenyl)-4-ethylpiperazine-1-carbothioamide
TL;DR: N-(4-bromophenyl)-4-ethylpiperazine-1-carbothioamide (CAS 690706-67-3) is a chemical compound with molecular formula C13H18BrN3S and molecular weight 327.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-4-ethylpiperazine-1-carbothioamide
Also Known As: N-(4-bromophenyl)-4-ethylpiperazine-1-carbothioamide, N-(4-bromophenyl)-4-ethyl-piperazine-1-carbothioamide
| Molecular Formula | C13H18BrN3S |
|---|---|
| Molecular Weight | 327.04 g/mol |
| LogP | 2.7834 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.04047 |
| Heavy Atoms | 18 |
| Complexity | 399.2023 |
Chemical Identifiers
| CAS Number | 690706-67-3 |
|---|---|
| SMILES | CCN1CCN(CC1)C(=S)NC2=CC=C(C=C2)Br |
Product Overview
N-(4-bromophenyl)-4-ethylpiperazine-1-carbothioamide (CAS 690706-67-3), with molecular formula C13H18BrN3S and molecular weight 327.04 g/mol. IUPAC: N-(4-bromophenyl)-4-ethylpiperazine-1-carbothioamide.
Chemical Property Profile of N-(4-bromophenyl)-4-ethylpiperazine-1-carbothioamide
Property Insights of N-(4-bromophenyl)-4-ethylpiperazine-1-carbothioamide
The XLogP value of 2.7834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-bromophenyl)-4-ethylpiperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 18.51 Ų, N-(4-bromophenyl)-4-ethylpiperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-bromophenyl)-4-ethylpiperazine-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-(4-bromophenyl)-4-ethylpiperazine-1-carbothioamide?
The CAS number of N-(4-bromophenyl)-4-ethylpiperazine-1-carbothioamide is 690706-67-3.
What is the molecular formula of N-(4-bromophenyl)-4-ethylpiperazine-1-carbothioamide?
The molecular formula of N-(4-bromophenyl)-4-ethylpiperazine-1-carbothioamide is C13H18BrN3S.
What is the molecular weight of N-(4-bromophenyl)-4-ethylpiperazine-1-carbothioamide?
The molecular weight of N-(4-bromophenyl)-4-ethylpiperazine-1-carbothioamide is 327.04 g/mol.
Where can I buy N-(4-bromophenyl)-4-ethylpiperazine-1-carbothioamide?
You can request a quote for N-(4-bromophenyl)-4-ethylpiperazine-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-bromophenyl)-4-ethylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromophenyl)-4-ethylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.