4-benzhydryl-N-butan-2-ylpiperazine-1-carbothioamide
TL;DR: 4-benzhydryl-N-butan-2-ylpiperazine-1-carbothioamide (CAS 461459-56-3) is a chemical compound with molecular formula C22H29N3S and molecular weight 367.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzhydryl-N-butan-2-ylpiperazine-1-carbothioamide
Also Known As: ASN 04887321, 4-benzhydryl-N-butan-2-ylpiperazine-1-carbothioamide, 4-Benzhydryl-piperazine-1-carbothioic acid sec-butylamide, N-(butan-2-yl)-4-(diphenylmethyl)piperazine-1-carbothioamide, 4-benzhydryl-N-sec-butyl-piperazine-1-carbothioamide
| Molecular Formula | C22H29N3S |
|---|---|
| Molecular Weight | 367.21 g/mol |
| LogP | 4.0666 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.20822 |
| Heavy Atoms | 26 |
| Complexity | 641.5483 |
Chemical Identifiers
| CAS Number | 461459-56-3 |
|---|---|
| SMILES | CCC(C)NC(=S)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
4-benzhydryl-N-butan-2-ylpiperazine-1-carbothioamide (CAS 461459-56-3), with molecular formula C22H29N3S and molecular weight 367.21 g/mol. IUPAC: 4-benzhydryl-N-butan-2-ylpiperazine-1-carbothioamide.
Chemical Property Profile of 4-benzhydryl-N-butan-2-ylpiperazine-1-carbothioamide
Property Insights of 4-benzhydryl-N-butan-2-ylpiperazine-1-carbothioamide
The XLogP value of 4.0666 indicates that 4-benzhydryl-N-butan-2-ylpiperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.51 Ų, 4-benzhydryl-N-butan-2-ylpiperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzhydryl-N-butan-2-ylpiperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 2 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-benzhydryl-N-butan-2-ylpiperazine-1-carbothioamide?
The CAS number of 4-benzhydryl-N-butan-2-ylpiperazine-1-carbothioamide is 461459-56-3.
What is the molecular formula of 4-benzhydryl-N-butan-2-ylpiperazine-1-carbothioamide?
The molecular formula of 4-benzhydryl-N-butan-2-ylpiperazine-1-carbothioamide is C22H29N3S.
What is the molecular weight of 4-benzhydryl-N-butan-2-ylpiperazine-1-carbothioamide?
The molecular weight of 4-benzhydryl-N-butan-2-ylpiperazine-1-carbothioamide is 367.21 g/mol.
Where can I buy 4-benzhydryl-N-butan-2-ylpiperazine-1-carbothioamide?
You can request a quote for 4-benzhydryl-N-butan-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 4-benzhydryl-N-butan-2-ylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-benzhydryl-N-butan-2-ylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.