N-(4-methyl-2-oxochromen-7-yl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide
TL;DR: N-(4-methyl-2-oxochromen-7-yl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide (CAS 701940-71-8) is a chemical compound with molecular formula C20H23N3O4S and molecular weight 401.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methyl-2-oxochromen-7-yl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide
Also Known As: N-(4-methyl-2-oxochromen-7-yl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide, 4-methyl-7-({[4-(oxolan-2-ylcarbonyl)piperazinyl]thioxomethyl}amino)chromen-2- one, N-(4-methyl-2-oxo-2H-chromen-7-yl)-4-(tetrahydrofuran-2-ylcarbonyl)piperazine-1-carbothioamide
| Molecular Formula | C20H23N3O4S |
|---|---|
| Molecular Weight | 401.14 g/mol |
| LogP | 2.12142 |
| Topological Polar Surface Area | 75.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.14093 |
| Heavy Atoms | 28 |
| Complexity | 959.5674 |
Chemical Identifiers
| CAS Number | 701940-71-8 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCN(CC3)C(=O)C4CCCO4 |
Product Overview
N-(4-methyl-2-oxochromen-7-yl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide (CAS 701940-71-8), with molecular formula C20H23N3O4S and molecular weight 401.14 g/mol. IUPAC: N-(4-methyl-2-oxochromen-7-yl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide.
Chemical Property Profile of N-(4-methyl-2-oxochromen-7-yl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide
Property Insights of N-(4-methyl-2-oxochromen-7-yl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide
The XLogP value of 2.12142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-methyl-2-oxochromen-7-yl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide. The TPSA of 75.02 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-methyl-2-oxochromen-7-yl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide. Following Lipinski's Rule of Five, N-(4-methyl-2-oxochromen-7-yl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 5 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 N-(4-methyl-2-oxochromen-7-yl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide?
The CAS number of N-(4-methyl-2-oxochromen-7-yl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide is 701940-71-8.
What is the molecular formula of N-(4-methyl-2-oxochromen-7-yl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide?
The molecular formula of N-(4-methyl-2-oxochromen-7-yl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide is C20H23N3O4S.
What is the molecular weight of N-(4-methyl-2-oxochromen-7-yl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide?
The molecular weight of N-(4-methyl-2-oxochromen-7-yl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide is 401.14 g/mol.
Where can I buy N-(4-methyl-2-oxochromen-7-yl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide?
You can request a quote for N-(4-methyl-2-oxochromen-7-yl)-4-(oxolane-2-carbonyl)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 N-(4-methyl-2-oxochromen-7-yl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methyl-2-oxochromen-7-yl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.