4-(oxolane-2-carbonyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide
TL;DR: 4-(oxolane-2-carbonyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide (CAS 664969-55-5) is a chemical compound with molecular formula C22H25N3O3S and molecular weight 411.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(oxolane-2-carbonyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide
Also Known As: 4-(oxolane-2-carbonyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide, AJ-292/41694585, N-(4-Phenoxyphenyl)-4-[(tetrahydro-2-furanyl)carbonyl]-1-piperazinecarbothioamide, N-(4-phenoxyphenyl)-4-(tetrahydrofuran-2-ylcarbonyl)piperazine-1-carbothioamide
| Molecular Formula | C22H25N3O3S |
|---|---|
| Molecular Weight | 411.16 g/mol |
| LogP | 3.4989 |
| Topological Polar Surface Area | 54.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.16165 |
| Heavy Atoms | 29 |
| Complexity | 830.1408 |
Chemical Identifiers
| CAS Number | 664969-55-5 |
|---|---|
| SMILES | C1CC(OC1)C(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4 |
Product Overview
4-(oxolane-2-carbonyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide (CAS 664969-55-5), with molecular formula C22H25N3O3S and molecular weight 411.16 g/mol. IUPAC: 4-(oxolane-2-carbonyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-(oxolane-2-carbonyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide
Property Insights of 4-(oxolane-2-carbonyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide
The XLogP value of 3.4989 indicates that 4-(oxolane-2-carbonyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.04 Ų, 4-(oxolane-2-carbonyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(oxolane-2-carbonyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 4 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 4-(oxolane-2-carbonyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide?
The CAS number of 4-(oxolane-2-carbonyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide is 664969-55-5.
What is the molecular formula of 4-(oxolane-2-carbonyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide?
The molecular formula of 4-(oxolane-2-carbonyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide is C22H25N3O3S.
What is the molecular weight of 4-(oxolane-2-carbonyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide?
The molecular weight of 4-(oxolane-2-carbonyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide is 411.16 g/mol.
Where can I buy 4-(oxolane-2-carbonyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide?
You can request a quote for 4-(oxolane-2-carbonyl)-N-(4-phenoxyphenyl)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-(oxolane-2-carbonyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(oxolane-2-carbonyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.