N-(2-hydroxyethyl)-1-oxo-1H-isothiochromene-3-carboxamide
TL;DR: N-(2-hydroxyethyl)-1-oxo-1H-isothiochromene-3-carboxamide (CAS 627487-66-5) is a chemical compound with molecular formula C12H11NO3S and molecular weight 249.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-hydroxyethyl)-1-oxoisothiochromene-3-carboxamide
Also Known As: ChemDiv3_006686, N-(2-hydroxyethyl)-1-oxo-1H-isothiochromene-3-carboxamide, SDCCGMLS-0051098.P002, IDI1_024596, N-(2-hydroxyethyl)-1-oxoisothiochromene-3-carboxamide
| Molecular Formula | C12H11NO3S |
|---|---|
| Molecular Weight | 249.05 g/mol |
| LogP | 0.9836 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.04596 |
| Heavy Atoms | 17 |
| Complexity | 605.9674 |
Chemical Identifiers
| CAS Number | 627487-66-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(SC2=O)C(=O)NCCO |
Product Overview
N-(2-hydroxyethyl)-1-oxo-1H-isothiochromene-3-carboxamide (CAS 627487-66-5), with molecular formula C12H11NO3S and molecular weight 249.05 g/mol. IUPAC: N-(2-hydroxyethyl)-1-oxoisothiochromene-3-carboxamide.
Chemical Property Profile of N-(2-hydroxyethyl)-1-oxo-1H-isothiochromene-3-carboxamide
Property Insights of N-(2-hydroxyethyl)-1-oxo-1H-isothiochromene-3-carboxamide
The XLogP value of 0.9836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-hydroxyethyl)-1-oxo-1H-isothiochromene-3-carboxamide. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-hydroxyethyl)-1-oxo-1H-isothiochromene-3-carboxamide. Following Lipinski's Rule of Five, N-(2-hydroxyethyl)-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-(2-hydroxyethyl)-1-oxo-1H-isothiochromene-3-carboxamide?
The CAS number of N-(2-hydroxyethyl)-1-oxo-1H-isothiochromene-3-carboxamide is 627487-66-5.
What is the molecular formula of N-(2-hydroxyethyl)-1-oxo-1H-isothiochromene-3-carboxamide?
The molecular formula of N-(2-hydroxyethyl)-1-oxo-1H-isothiochromene-3-carboxamide is C12H11NO3S.
What is the molecular weight of N-(2-hydroxyethyl)-1-oxo-1H-isothiochromene-3-carboxamide?
The molecular weight of N-(2-hydroxyethyl)-1-oxo-1H-isothiochromene-3-carboxamide is 249.05 g/mol.
Where can I buy N-(2-hydroxyethyl)-1-oxo-1H-isothiochromene-3-carboxamide?
You can request a quote for N-(2-hydroxyethyl)-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-(2-hydroxyethyl)-1-oxo-1H-isothiochromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-hydroxyethyl)-1-oxo-1H-isothiochromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.