7,8-dimethoxy-1-oxo-N-phenyl-1H-isothiochromene-3-carboxamide
TL;DR: 7,8-dimethoxy-1-oxo-N-phenyl-1H-isothiochromene-3-carboxamide (CAS 622352-49-2) is a chemical compound with molecular formula C18H15NO4S and molecular weight 341.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dimethoxy-1-oxo-N-phenylisothiochromene-3-carboxamide
Also Known As: IFLab1_005974, IDI1_011377, 7,8-dimethoxy-1-oxo-N-phenyl-1H-isothiochromene-3-carboxamide, 7,8-dimethoxy-1-oxo-N-phenylisothiochromene-3-carboxamide, (7,8-dimethoxy-1-oxobenzo[d]thiin-3-yl)-N-benzamide
| Molecular Formula | C18H15NO4S |
|---|---|
| Molecular Weight | 341.07 g/mol |
| LogP | 3.531 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.07217 |
| Heavy Atoms | 24 |
| Complexity | 950.38513 |
Chemical Identifiers
| CAS Number | 622352-49-2 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)NC3=CC=CC=C3)OC |
Product Overview
7,8-dimethoxy-1-oxo-N-phenyl-1H-isothiochromene-3-carboxamide (CAS 622352-49-2), with molecular formula C18H15NO4S and molecular weight 341.07 g/mol. IUPAC: 7,8-dimethoxy-1-oxo-N-phenylisothiochromene-3-carboxamide.
Chemical Property Profile of 7,8-dimethoxy-1-oxo-N-phenyl-1H-isothiochromene-3-carboxamide
Property Insights of 7,8-dimethoxy-1-oxo-N-phenyl-1H-isothiochromene-3-carboxamide
The XLogP value of 3.531 indicates that 7,8-dimethoxy-1-oxo-N-phenyl-1H-isothiochromene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,8-dimethoxy-1-oxo-N-phenyl-1H-isothiochromene-3-carboxamide. Following Lipinski's Rule of Five, 7,8-dimethoxy-1-oxo-N-phenyl-1H-isothiochromene-3-carboxamide 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 7,8-dimethoxy-1-oxo-N-phenyl-1H-isothiochromene-3-carboxamide?
The CAS number of 7,8-dimethoxy-1-oxo-N-phenyl-1H-isothiochromene-3-carboxamide is 622352-49-2.
What is the molecular formula of 7,8-dimethoxy-1-oxo-N-phenyl-1H-isothiochromene-3-carboxamide?
The molecular formula of 7,8-dimethoxy-1-oxo-N-phenyl-1H-isothiochromene-3-carboxamide is C18H15NO4S.
What is the molecular weight of 7,8-dimethoxy-1-oxo-N-phenyl-1H-isothiochromene-3-carboxamide?
The molecular weight of 7,8-dimethoxy-1-oxo-N-phenyl-1H-isothiochromene-3-carboxamide is 341.07 g/mol.
Where can I buy 7,8-dimethoxy-1-oxo-N-phenyl-1H-isothiochromene-3-carboxamide?
You can request a quote for 7,8-dimethoxy-1-oxo-N-phenyl-1H-isothiochromene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8-dimethoxy-1-oxo-N-phenyl-1H-isothiochromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 7,8-dimethoxy-1-oxo-N-phenyl-1H-isothiochromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.