N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-oxo-1H-isothiochromene-3-carboxamide
TL;DR: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-oxo-1H-isothiochromene-3-carboxamide (CAS 622352-85-6) is a chemical compound with molecular formula C21H17N3O3S and molecular weight 391.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-oxoisothiochromene-3-carboxamide
Also Known As: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-oxo-1H-isothiochromene-3-carboxamide, N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-oxoisothiochromene-3-carboxamide
| Molecular Formula | C21H17N3O3S |
|---|---|
| Molecular Weight | 391.10 g/mol |
| LogP | 3.31162 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.09906 |
| Heavy Atoms | 28 |
| Complexity | 1316.4762 |
Chemical Identifiers
| CAS Number | 622352-85-6 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4C(=O)S3 |
Product Overview
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-oxo-1H-isothiochromene-3-carboxamide (CAS 622352-85-6), with molecular formula C21H17N3O3S and molecular weight 391.10 g/mol. IUPAC: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-oxoisothiochromene-3-carboxamide.
Chemical Property Profile of N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-oxo-1H-isothiochromene-3-carboxamide
Property Insights of N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-oxo-1H-isothiochromene-3-carboxamide
The XLogP value of 3.31162 indicates that N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-oxo-1H-isothiochromene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-oxo-1H-isothiochromene-3-carboxamide. Following Lipinski's Rule of Five, N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-oxo-1H-isothiochromene-3-carboxamide has 1 hydrogen bond donor(s) and 4 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-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-oxo-1H-isothiochromene-3-carboxamide?
The CAS number of N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-oxo-1H-isothiochromene-3-carboxamide is 622352-85-6.
What is the molecular formula of N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-oxo-1H-isothiochromene-3-carboxamide?
The molecular formula of N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-oxo-1H-isothiochromene-3-carboxamide is C21H17N3O3S.
What is the molecular weight of N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-oxo-1H-isothiochromene-3-carboxamide?
The molecular weight of N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-oxo-1H-isothiochromene-3-carboxamide is 391.10 g/mol.
Where can I buy N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-oxo-1H-isothiochromene-3-carboxamide?
You can request a quote for N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-oxo-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 N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-oxo-1H-isothiochromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-oxo-1H-isothiochromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.