N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
TL;DR: N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide (CAS 874128-29-7) is a chemical compound with molecular formula C23H22FNO5S and molecular weight 443.12 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-fluorophenyl)methyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
Also Known As: N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide, N-(1,1-DIOXIDOTETRAHYDRO-3-THIOPHENYL)-N-(4-FLUOROBENZYL)-6,8-DIMETHYL-4-OXO-4H-CHROMENE-2-CARBOXAMIDE, N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-6,8-dimethyl-4-oxo-chromene-2-carboxamide, N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
| Molecular Formula | C23H22FNO5S |
|---|---|
| Molecular Weight | 443.12 g/mol |
| LogP | 3.37844 |
| Topological Polar Surface Area | 84.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.12027 |
| Heavy Atoms | 31 |
| Complexity | 1328.5693 |
Chemical Identifiers
| CAS Number | 874128-29-7 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)C(=O)C=C(O2)C(=O)N(CC3=CC=C(C=C3)F)C4CCS(=O)(=O)C4)C |
Product Overview
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide (CAS 874128-29-7), with molecular formula C23H22FNO5S and molecular weight 443.12 g/mol. IUPAC: N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-6,8-dimethyl-4-oxochromene-2-carboxamide.
Chemical Property Profile of N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
Property Insights of N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
The XLogP value of 3.37844 indicates that N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-6,8-dimethyl-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-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide. Following Lipinski's Rule of Five, N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-6,8-dimethyl-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-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide?
The CAS number of N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide is 874128-29-7.
What is the molecular formula of N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide?
The molecular formula of N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide is C23H22FNO5S.
What is the molecular weight of N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide?
The molecular weight of N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide is 443.12 g/mol.
Where can I buy N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide?
You can request a quote for N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-6,8-dimethyl-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-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.