4-benzhydryl-N-(2-methoxyphenyl)piperazine-1-carbothioamide
TL;DR: 4-benzhydryl-N-(2-methoxyphenyl)piperazine-1-carbothioamide (CAS 431072-28-5) is a chemical compound with molecular formula C25H27N3OS and molecular weight 417.18747 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-benzhydryl-N-(2-methoxyphenyl)piperazine-1-carbothioamide
Also Known As: BAS 04887320, 4-benzhydryl-N-(2-methoxyphenyl)piperazine-1-carbothioamide, AJ-292/42034435, 4-benzhydryl-N-(2-methoxyphenyl)-1-piperazinecarbothioamide, 4-(diphenylmethyl)-N-(2-methoxyphenyl)piperazine-1-carbothioamide
Technical Specifications
| Molecular Formula | C25H27N3OS |
| Molecular Weight | 417.18747 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 59.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.18747 Da |
| Heavy Atoms | 30 |
| Complexity | 506.0 |
| SMILES | COC1=CC=CC=C1NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | IJLFPQDXCYIPKB-UHFFFAOYSA-N |
Chemical Property Profile of 4-benzhydryl-N-(2-methoxyphenyl)piperazine-1-carbothioamide
Property Insights of 4-benzhydryl-N-(2-methoxyphenyl)piperazine-1-carbothioamide
The XLogP value of 4.7 indicates that 4-benzhydryl-N-(2-methoxyphenyl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.8 Ų, 4-benzhydryl-N-(2-methoxyphenyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzhydryl-N-(2-methoxyphenyl)piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-benzhydryl-N-(2-methoxyphenyl)piperazine-1-carbothioamide?
The CAS number of 4-benzhydryl-N-(2-methoxyphenyl)piperazine-1-carbothioamide is 431072-28-5.
What is the molecular formula of 4-benzhydryl-N-(2-methoxyphenyl)piperazine-1-carbothioamide?
The molecular formula of 4-benzhydryl-N-(2-methoxyphenyl)piperazine-1-carbothioamide is C25H27N3OS.
What is the molecular weight of 4-benzhydryl-N-(2-methoxyphenyl)piperazine-1-carbothioamide?
The molecular weight of 4-benzhydryl-N-(2-methoxyphenyl)piperazine-1-carbothioamide is 417.18747 g/mol.
Where can I buy 4-benzhydryl-N-(2-methoxyphenyl)piperazine-1-carbothioamide?
You can request a quote for 4-benzhydryl-N-(2-methoxyphenyl)piperazine-1-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-benzhydryl-N-(2-methoxyphenyl)piperazine-1-carbothioamide?
Yes, CoreyChem provides custom synthesis services for 4-benzhydryl-N-(2-methoxyphenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.