![6-chloro-N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide structure](/static/products/873/873080-80-9.png)
6-chloro-N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide
TL;DR: 6-chloro-N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide (CAS 873080-80-9) is a chemical compound with molecular formula C24H25ClN2O5S and molecular weight 488.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)-7-methyl-4-oxochromene-2-carboxamide
Also Known As: 6-chloro-N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide, 6-chloro-N-(4-(dimethylamino)benzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide, 6-chloro-N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-7-methyl-4-oxochromene-2-carboxamide
| Molecular Formula | C24H25ClN2O5S |
|---|---|
| Molecular Weight | 488.12 g/mol |
| LogP | 3.65032 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.11728 |
| Heavy Atoms | 33 |
| Complexity | 1380.4702 |
Chemical Identifiers
| CAS Number | 873080-80-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1Cl)C(=O)C=C(O2)C(=O)N(CC3=CC=C(C=C3)N(C)C)C4CCS(=O)(=O)C4 |
Product Overview
6-chloro-N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide (CAS 873080-80-9), with molecular formula C24H25ClN2O5S and molecular weight 488.12 g/mol. IUPAC: 6-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)-7-methyl-4-oxochromene-2-carboxamide.
Chemical Property Profile of 6-chloro-N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide
Property Insights of 6-chloro-N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide
The XLogP value of 3.65032 indicates that 6-chloro-N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-chloro-N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide. Following Lipinski's Rule of Five, 6-chloro-N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide has 0 hydrogen bond donor(s) and 6 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 6-chloro-N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide?
The CAS number of 6-chloro-N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide is 873080-80-9.
What is the molecular formula of 6-chloro-N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide?
The molecular formula of 6-chloro-N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide is C24H25ClN2O5S.
What is the molecular weight of 6-chloro-N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide?
The molecular weight of 6-chloro-N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide is 488.12 g/mol.
Where can I buy 6-chloro-N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide?
You can request a quote for 6-chloro-N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.