(6-Dimethylsulfamoyl-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid
TL;DR: (6-Dimethylsulfamoyl-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid (CAS 144402-61-9) is a chemical compound with molecular formula C12H13NO6S and molecular weight 299.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-(dimethylsulfamoyl)-3-oxo-1H-2-benzofuran-1-yl]acetic acid
Also Known As: (6-Dimethylsulfamoyl-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid, BAS 00226217, Z-2061, 2-(6-(N,N-Dimethylsulfamoyl)-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetic acid, 2-[6-(dimethylsulfamoyl)-3-oxo-1H-2-benzofuran-1-yl]acetic acid
| Molecular Formula | C12H13NO6S |
|---|---|
| Molecular Weight | 299.05 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.04636 |
| Heavy Atoms | 20 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 144402-61-9 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC2=C(C=C1)C(=O)OC2CC(=O)O |
| InChIKey | YGCQLOWUVYDHLW-UHFFFAOYSA-N |
Product Overview
(6-Dimethylsulfamoyl-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid (CAS 144402-61-9), with molecular formula C12H13NO6S and molecular weight 299.05 g/mol. IUPAC: 2-[6-(dimethylsulfamoyl)-3-oxo-1H-2-benzofuran-1-yl]acetic acid.
Chemical Property Profile of (6-Dimethylsulfamoyl-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid
Property Insights of (6-Dimethylsulfamoyl-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-Dimethylsulfamoyl-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-Dimethylsulfamoyl-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid. Following Lipinski's Rule of Five, (6-Dimethylsulfamoyl-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid has 1 hydrogen bond donor(s) and 7 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 (6-Dimethylsulfamoyl-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid?
The CAS number of (6-Dimethylsulfamoyl-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid is 144402-61-9.
What is the molecular formula of (6-Dimethylsulfamoyl-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid?
The molecular formula of (6-Dimethylsulfamoyl-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid is C12H13NO6S.
What is the molecular weight of (6-Dimethylsulfamoyl-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid?
The molecular weight of (6-Dimethylsulfamoyl-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid is 299.05 g/mol.
Where can I buy (6-Dimethylsulfamoyl-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid?
You can request a quote for (6-Dimethylsulfamoyl-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Dimethylsulfamoyl-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (6-Dimethylsulfamoyl-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.