N-benzyl-6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide
TL;DR: N-benzyl-6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide (CAS 873080-72-9) is a chemical compound with molecular formula C22H20ClNO5S and molecular weight 445.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-6-chloro-N-(1,1-dioxothiolan-3-yl)-7-methyl-4-oxochromene-2-carboxamide
Also Known As: N-benzyl-6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide, N-benzyl-6-chloro-N-(1,1-dioxothiolan-3-yl)-7-methyl-4-oxochromene-2-carboxamide, 6-Chloro-7-methyl-4-oxo-4H-chromene-2-carboxylic acid benzyl-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-amide
| Molecular Formula | C22H20ClNO5S |
|---|---|
| Molecular Weight | 445.08 g/mol |
| LogP | 3.58432 |
| Topological Polar Surface Area | 84.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.07507 |
| Heavy Atoms | 30 |
| Complexity | 1284.1208 |
Chemical Identifiers
| CAS Number | 873080-72-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1Cl)C(=O)C=C(O2)C(=O)N(CC3=CC=CC=C3)C4CCS(=O)(=O)C4 |
Product Overview
N-benzyl-6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide (CAS 873080-72-9), with molecular formula C22H20ClNO5S and molecular weight 445.08 g/mol. IUPAC: N-benzyl-6-chloro-N-(1,1-dioxothiolan-3-yl)-7-methyl-4-oxochromene-2-carboxamide.
Chemical Property Profile of N-benzyl-6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide
Property Insights of N-benzyl-6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide
The XLogP value of 3.58432 indicates that N-benzyl-6-chloro-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 84.66 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide. Following Lipinski's Rule of Five, N-benzyl-6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-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-benzyl-6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide?
The CAS number of N-benzyl-6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide is 873080-72-9.
What is the molecular formula of N-benzyl-6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide?
The molecular formula of N-benzyl-6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide is C22H20ClNO5S.
What is the molecular weight of N-benzyl-6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide?
The molecular weight of N-benzyl-6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide is 445.08 g/mol.
Where can I buy N-benzyl-6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide?
You can request a quote for N-benzyl-6-chloro-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 N-benzyl-6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-6-chloro-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.