N-(4-hydroxyphenyl)-1-oxo-1H-isothiochromene-3-carboxamide
TL;DR: N-(4-hydroxyphenyl)-1-oxo-1H-isothiochromene-3-carboxamide (CAS 622352-58-3) is a chemical compound with molecular formula C16H11NO3S and molecular weight 297.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-hydroxyphenyl)-1-oxoisothiochromene-3-carboxamide
Also Known As: N-(4-hydroxyphenyl)-1-oxo-1H-isothiochromene-3-carboxamide, N-(4-hydroxyphenyl)-1-oxoisothiochromene-3-carboxamide, AP-906/42288230, N-(4-hydroxyphenyl)(1-oxobenzo[d]thiin-3-yl)carboxamide, N-p-hydroxyphenyl-1-oxo-1H-2-benzothiin-3-carboxamide
| Molecular Formula | C16H11NO3S |
|---|---|
| Molecular Weight | 297.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.04596 |
| Heavy Atoms | 21 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 622352-58-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(SC2=O)C(=O)NC3=CC=C(C=C3)O |
| InChIKey | KJQLEEQCBCIIHS-UHFFFAOYSA-N |
Product Overview
N-(4-hydroxyphenyl)-1-oxo-1H-isothiochromene-3-carboxamide (CAS 622352-58-3), with molecular formula C16H11NO3S and molecular weight 297.05 g/mol. IUPAC: N-(4-hydroxyphenyl)-1-oxoisothiochromene-3-carboxamide.
Chemical Property Profile of N-(4-hydroxyphenyl)-1-oxo-1H-isothiochromene-3-carboxamide
Property Insights of N-(4-hydroxyphenyl)-1-oxo-1H-isothiochromene-3-carboxamide
The XLogP value of 3.1 indicates that N-(4-hydroxyphenyl)-1-oxo-1H-isothiochromene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-hydroxyphenyl)-1-oxo-1H-isothiochromene-3-carboxamide. Following Lipinski's Rule of Five, N-(4-hydroxyphenyl)-1-oxo-1H-isothiochromene-3-carboxamide has 2 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-(4-hydroxyphenyl)-1-oxo-1H-isothiochromene-3-carboxamide?
The CAS number of N-(4-hydroxyphenyl)-1-oxo-1H-isothiochromene-3-carboxamide is 622352-58-3.
What is the molecular formula of N-(4-hydroxyphenyl)-1-oxo-1H-isothiochromene-3-carboxamide?
The molecular formula of N-(4-hydroxyphenyl)-1-oxo-1H-isothiochromene-3-carboxamide is C16H11NO3S.
What is the molecular weight of N-(4-hydroxyphenyl)-1-oxo-1H-isothiochromene-3-carboxamide?
The molecular weight of N-(4-hydroxyphenyl)-1-oxo-1H-isothiochromene-3-carboxamide is 297.05 g/mol.
Where can I buy N-(4-hydroxyphenyl)-1-oxo-1H-isothiochromene-3-carboxamide?
You can request a quote for N-(4-hydroxyphenyl)-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-(4-hydroxyphenyl)-1-oxo-1H-isothiochromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-hydroxyphenyl)-1-oxo-1H-isothiochromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.