![N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide structure](/static/products/7019/701924-93-8.webp)
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide
TL;DR: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide (CAS 701924-93-8) is a chemical compound with molecular formula C19H25N5O2S and molecular weight 387.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide
Also Known As: CBKinase1_006792, CBKinase1_019192, BRD-K71372288-001-01-3, N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide, {[2-(3,4-dimethoxyphenyl)ethyl]amino}(4-pyrimidin-2-ylpiperazinyl)methane-1-th ione
| Molecular Formula | C19H25N5O2S |
|---|---|
| Molecular Weight | 387.17 g/mol |
| LogP | 1.733 |
| Topological Polar Surface Area | 62.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.17288 |
| Heavy Atoms | 27 |
| Complexity | 751.02014 |
Chemical Identifiers
| CAS Number | 701924-93-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)C3=NC=CC=N3)OC |
Product Overview
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide (CAS 701924-93-8), with molecular formula C19H25N5O2S and molecular weight 387.17 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide.
Chemical Property Profile of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide
Property Insights of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide
The XLogP value of 1.733 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide. The TPSA of 62.75 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide. Following Lipinski's Rule of Five, N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 6 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-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
The CAS number of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide is 701924-93-8.
What is the molecular formula of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
The molecular formula of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide is C19H25N5O2S.
What is the molecular weight of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
The molecular weight of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide is 387.17 g/mol.
Where can I buy N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
You can request a quote for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-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-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.