4-benzhydryl-N-(4-ethoxyphenyl)piperazine-1-carbothioamide
TL;DR: 4-benzhydryl-N-(4-ethoxyphenyl)piperazine-1-carbothioamide (CAS 480397-55-5) is a chemical compound with molecular formula C26H29N3OS and molecular weight 431.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzhydryl-N-(4-ethoxyphenyl)piperazine-1-carbothioamide
Also Known As: 4-benzhydryl-N-(4-ethoxyphenyl)piperazine-1-carbothioamide, 4-(diphenylmethyl)-N-(4-ethoxyphenyl)piperazine-1-carbothioamide
| Molecular Formula | C26H29N3OS |
|---|---|
| Molecular Weight | 431.20 g/mol |
| LogP | 5.1893 |
| Topological Polar Surface Area | 27.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.20312 |
| Heavy Atoms | 31 |
| Complexity | 915.46185 |
Chemical Identifiers
| CAS Number | 480397-55-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
4-benzhydryl-N-(4-ethoxyphenyl)piperazine-1-carbothioamide (CAS 480397-55-5), with molecular formula C26H29N3OS and molecular weight 431.20 g/mol. IUPAC: 4-benzhydryl-N-(4-ethoxyphenyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-benzhydryl-N-(4-ethoxyphenyl)piperazine-1-carbothioamide
Property Insights of 4-benzhydryl-N-(4-ethoxyphenyl)piperazine-1-carbothioamide
The XLogP value of 5.1893 indicates that 4-benzhydryl-N-(4-ethoxyphenyl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.74 Ų, 4-benzhydryl-N-(4-ethoxyphenyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzhydryl-N-(4-ethoxyphenyl)piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-benzhydryl-N-(4-ethoxyphenyl)piperazine-1-carbothioamide?
The CAS number of 4-benzhydryl-N-(4-ethoxyphenyl)piperazine-1-carbothioamide is 480397-55-5.
What is the molecular formula of 4-benzhydryl-N-(4-ethoxyphenyl)piperazine-1-carbothioamide?
The molecular formula of 4-benzhydryl-N-(4-ethoxyphenyl)piperazine-1-carbothioamide is C26H29N3OS.
What is the molecular weight of 4-benzhydryl-N-(4-ethoxyphenyl)piperazine-1-carbothioamide?
The molecular weight of 4-benzhydryl-N-(4-ethoxyphenyl)piperazine-1-carbothioamide is 431.20 g/mol.
Where can I buy 4-benzhydryl-N-(4-ethoxyphenyl)piperazine-1-carbothioamide?
You can request a quote for 4-benzhydryl-N-(4-ethoxyphenyl)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 4-benzhydryl-N-(4-ethoxyphenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-benzhydryl-N-(4-ethoxyphenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.