4-benzhydryl-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide
TL;DR: 4-benzhydryl-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide (CAS 708222-50-8) is a chemical compound with molecular formula C28H27N3O2S and molecular weight 469.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzhydryl-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide
Also Known As: 4-benzhydryl-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide, 4-benzhydryl-N-(4-methyl-2-oxo-chromen-7-yl)piperazine-1-carbothioamide, 4-(diphenylmethyl)-N-(4-methyl-2-oxo-2H-chromen-7-yl)piperazine-1-carbothioamide, 7-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)-4-methylchromen-2-one
| Molecular Formula | C28H27N3O2S |
|---|---|
| Molecular Weight | 469.18 g/mol |
| LogP | 5.20542 |
| Topological Polar Surface Area | 48.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 469.1824 |
| Heavy Atoms | 34 |
| Complexity | 1307.2097 |
Chemical Identifiers
| CAS Number | 708222-50-8 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
4-benzhydryl-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide (CAS 708222-50-8), with molecular formula C28H27N3O2S and molecular weight 469.18 g/mol. IUPAC: 4-benzhydryl-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-benzhydryl-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide
Property Insights of 4-benzhydryl-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide
The XLogP value of 5.20542 indicates that 4-benzhydryl-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.72 Ų, 4-benzhydryl-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzhydryl-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 4 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-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide?
The CAS number of 4-benzhydryl-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide is 708222-50-8.
What is the molecular formula of 4-benzhydryl-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide?
The molecular formula of 4-benzhydryl-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide is C28H27N3O2S.
What is the molecular weight of 4-benzhydryl-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide?
The molecular weight of 4-benzhydryl-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide is 469.18 g/mol.
Where can I buy 4-benzhydryl-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide?
You can request a quote for 4-benzhydryl-N-(4-methyl-2-oxochromen-7-yl)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-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-benzhydryl-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.