N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methylbenzyl)-2-oxo-2H-chromene-3-carboxamide
TL;DR: N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methylbenzyl)-2-oxo-2H-chromene-3-carboxamide (CAS 846591-70-6) is a chemical compound with molecular formula C22H21NO5S and molecular weight 411.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxothiolan-3-yl)-N-[(4-methylphenyl)methyl]-2-oxochromene-3-carboxamide
Also Known As: N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methylbenzyl)-2-oxo-2H-chromene-3-carboxamide, N-(1,1-dioxothiolan-3-yl)-N-[(4-methylphenyl)methyl]-2-oxochromene-3-carboxamide, 2-Oxo-2H-chromene-3-carboxylic acid (1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-(4-methyl-benzyl)-amide, N-(11-DIOXO-1LAMBDA6-THIOLAN-3-YL)-N-[(4-METHYLPHENYL)METHYL]-2-OXO-2H-CHROMENE-3-CARBOXAMIDE
| Molecular Formula | C22H21NO5S |
|---|---|
| Molecular Weight | 411.11 g/mol |
| LogP | 2.93092 |
| Topological Polar Surface Area | 84.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.11404 |
| Heavy Atoms | 29 |
| Complexity | 1228.0424 |
Chemical Identifiers
| CAS Number | 846591-70-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC4=CC=CC=C4OC3=O |
Product Overview
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methylbenzyl)-2-oxo-2H-chromene-3-carboxamide (CAS 846591-70-6), with molecular formula C22H21NO5S and molecular weight 411.11 g/mol. IUPAC: N-(1,1-dioxothiolan-3-yl)-N-[(4-methylphenyl)methyl]-2-oxochromene-3-carboxamide.
Chemical Property Profile of N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methylbenzyl)-2-oxo-2H-chromene-3-carboxamide
Property Insights of N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methylbenzyl)-2-oxo-2H-chromene-3-carboxamide
The XLogP value of 2.93092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methylbenzyl)-2-oxo-2H-chromene-3-carboxamide. The TPSA of 84.66 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methylbenzyl)-2-oxo-2H-chromene-3-carboxamide. Following Lipinski's Rule of Five, N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methylbenzyl)-2-oxo-2H-chromene-3-carboxamide has 0 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-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methylbenzyl)-2-oxo-2H-chromene-3-carboxamide?
The CAS number of N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methylbenzyl)-2-oxo-2H-chromene-3-carboxamide is 846591-70-6.
What is the molecular formula of N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methylbenzyl)-2-oxo-2H-chromene-3-carboxamide?
The molecular formula of N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methylbenzyl)-2-oxo-2H-chromene-3-carboxamide is C22H21NO5S.
What is the molecular weight of N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methylbenzyl)-2-oxo-2H-chromene-3-carboxamide?
The molecular weight of N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methylbenzyl)-2-oxo-2H-chromene-3-carboxamide is 411.11 g/mol.
Where can I buy N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methylbenzyl)-2-oxo-2H-chromene-3-carboxamide?
You can request a quote for N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methylbenzyl)-2-oxo-2H-chromene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methylbenzyl)-2-oxo-2H-chromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methylbenzyl)-2-oxo-2H-chromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.