![N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carbothioamide structure](/static/products/6697/669729-91-3.webp)
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carbothioamide
TL;DR: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carbothioamide (CAS 669729-91-3) is a chemical compound with molecular formula C21H27N3O3S and molecular weight 401.18 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-(2-hydroxyphenyl)piperazine-1-carbothioamide
Also Known As: AB00033021-01, N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carbothioamide, 2-[4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}thioxomethyl)piperazinyl]phenol
| Molecular Formula | C21H27N3O3S |
|---|---|
| Molecular Weight | 401.18 g/mol |
| LogP | 2.6486 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.1773 |
| Heavy Atoms | 28 |
| Complexity | 807.23285 |
Chemical Identifiers
| CAS Number | 669729-91-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)C3=CC=CC=C3O)OC |
Product Overview
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carbothioamide (CAS 669729-91-3), with molecular formula C21H27N3O3S and molecular weight 401.18 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carbothioamide.
Chemical Property Profile of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carbothioamide
Property Insights of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carbothioamide
The XLogP value of 2.6486 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 57.2 Ų, N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carbothioamide has 2 hydrogen bond donor(s) and 5 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-(2-hydroxyphenyl)piperazine-1-carbothioamide?
The CAS number of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carbothioamide is 669729-91-3.
What is the molecular formula of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carbothioamide?
The molecular formula of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carbothioamide is C21H27N3O3S.
What is the molecular weight of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carbothioamide?
The molecular weight of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carbothioamide is 401.18 g/mol.
Where can I buy N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carbothioamide?
You can request a quote for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-hydroxyphenyl)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-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.