![2-[(1-Oxobenzo[d]thiin-3-yl)carbonylamino]acetic acid structure](/static/products/861/861225-58-3.png)
2-[(1-Oxobenzo[d]thiin-3-yl)carbonylamino]acetic acid
TL;DR: 2-[(1-Oxobenzo[d]thiin-3-yl)carbonylamino]acetic acid (CAS 861225-58-3) is a chemical compound with molecular formula C12H9NO4S and molecular weight 263.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1-oxoisothiochromene-3-carbonyl)amino]acetic acid
Also Known As: 2-[(1-oxobenzo[d]thiin-3-yl)carbonylamino]acetic acid, 2-[(1-oxoisothiochromene-3-carbonyl)amino]acetic Acid, [(1-oxo-1H-isothiochromene-3-carbonyl)amino]aceticacid, N-[(1-oxo-1H-isothiochromen-3-yl)carbonyl]glycine, ([(1-Oxo-1H-isothiochromen-3-yl)carbonyl]amino)acetic acid
| Molecular Formula | C12H9NO4S |
|---|---|
| Molecular Weight | 263.03 g/mol |
| LogP | 1.0759 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.02524 |
| Heavy Atoms | 18 |
| Complexity | 677.0769 |
Chemical Identifiers
| CAS Number | 861225-58-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(SC2=O)C(=O)NCC(=O)O |
Product Overview
2-[(1-Oxobenzo[d]thiin-3-yl)carbonylamino]acetic acid (CAS 861225-58-3), with molecular formula C12H9NO4S and molecular weight 263.03 g/mol. IUPAC: 2-[(1-oxoisothiochromene-3-carbonyl)amino]acetic acid.
Chemical Property Profile of 2-[(1-Oxobenzo[d]thiin-3-yl)carbonylamino]acetic acid
Property Insights of 2-[(1-Oxobenzo[d]thiin-3-yl)carbonylamino]acetic acid
The XLogP value of 1.0759 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1-Oxobenzo[d]thiin-3-yl)carbonylamino]acetic acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1-Oxobenzo[d]thiin-3-yl)carbonylamino]acetic acid. Following Lipinski's Rule of Five, 2-[(1-Oxobenzo[d]thiin-3-yl)carbonylamino]acetic acid 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 2-[(1-Oxobenzo[d]thiin-3-yl)carbonylamino]acetic acid?
The CAS number of 2-[(1-Oxobenzo[d]thiin-3-yl)carbonylamino]acetic acid is 861225-58-3.
What is the molecular formula of 2-[(1-Oxobenzo[d]thiin-3-yl)carbonylamino]acetic acid?
The molecular formula of 2-[(1-Oxobenzo[d]thiin-3-yl)carbonylamino]acetic acid is C12H9NO4S.
What is the molecular weight of 2-[(1-Oxobenzo[d]thiin-3-yl)carbonylamino]acetic acid?
The molecular weight of 2-[(1-Oxobenzo[d]thiin-3-yl)carbonylamino]acetic acid is 263.03 g/mol.
Where can I buy 2-[(1-Oxobenzo[d]thiin-3-yl)carbonylamino]acetic acid?
You can request a quote for 2-[(1-Oxobenzo[d]thiin-3-yl)carbonylamino]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1-Oxobenzo[d]thiin-3-yl)carbonylamino]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1-Oxobenzo[d]thiin-3-yl)carbonylamino]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.