1-oxo-N-(1,3-thiazol-2-yl)-1H-isothiochromene-3-carboxamide
TL;DR: 1-oxo-N-(1,3-thiazol-2-yl)-1H-isothiochromene-3-carboxamide (CAS 622352-76-5) is a chemical compound with molecular formula C13H8N2O2S2 and molecular weight 288.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxo-N-(1,3-thiazol-2-yl)isothiochromene-3-carboxamide
Also Known As: 1-oxo-N-(1,3-thiazol-2-yl)-1H-isothiochromene-3-carboxamide, 1-oxo-N-(1,3-thiazol-2-yl)isothiochromene-3-carboxamide, 1-oxo-N-(thiazol-2-yl)-1H-isothiochromene-3-carboxamide, (1-oxobenzo[d]thiin-3-yl)-N-(1,3-thiazol-2-yl)carboxamide
| Molecular Formula | C13H8N2O2S2 |
|---|---|
| Molecular Weight | 288.00 g/mol |
| LogP | 2.9703 |
| Topological Polar Surface Area | 59.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.00272 |
| Heavy Atoms | 19 |
| Complexity | 793.76337 |
Chemical Identifiers
| CAS Number | 622352-76-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(SC2=O)C(=O)NC3=NC=CS3 |
Product Overview
1-oxo-N-(1,3-thiazol-2-yl)-1H-isothiochromene-3-carboxamide (CAS 622352-76-5), with molecular formula C13H8N2O2S2 and molecular weight 288.00 g/mol. IUPAC: 1-oxo-N-(1,3-thiazol-2-yl)isothiochromene-3-carboxamide.
Chemical Property Profile of 1-oxo-N-(1,3-thiazol-2-yl)-1H-isothiochromene-3-carboxamide
Property Insights of 1-oxo-N-(1,3-thiazol-2-yl)-1H-isothiochromene-3-carboxamide
The XLogP value of 2.9703 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-oxo-N-(1,3-thiazol-2-yl)-1H-isothiochromene-3-carboxamide. With a topological polar surface area (TPSA) of 59.06 Ų, 1-oxo-N-(1,3-thiazol-2-yl)-1H-isothiochromene-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-oxo-N-(1,3-thiazol-2-yl)-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 1-oxo-N-(1,3-thiazol-2-yl)-1H-isothiochromene-3-carboxamide?
The CAS number of 1-oxo-N-(1,3-thiazol-2-yl)-1H-isothiochromene-3-carboxamide is 622352-76-5.
What is the molecular formula of 1-oxo-N-(1,3-thiazol-2-yl)-1H-isothiochromene-3-carboxamide?
The molecular formula of 1-oxo-N-(1,3-thiazol-2-yl)-1H-isothiochromene-3-carboxamide is C13H8N2O2S2.
What is the molecular weight of 1-oxo-N-(1,3-thiazol-2-yl)-1H-isothiochromene-3-carboxamide?
The molecular weight of 1-oxo-N-(1,3-thiazol-2-yl)-1H-isothiochromene-3-carboxamide is 288.00 g/mol.
Where can I buy 1-oxo-N-(1,3-thiazol-2-yl)-1H-isothiochromene-3-carboxamide?
You can request a quote for 1-oxo-N-(1,3-thiazol-2-yl)-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 1-oxo-N-(1,3-thiazol-2-yl)-1H-isothiochromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-oxo-N-(1,3-thiazol-2-yl)-1H-isothiochromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.