3-Oxo-2-(tetrahydro-furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid
TL;DR: 3-Oxo-2-(tetrahydro-furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid (CAS 5335-40-0) is a chemical compound with molecular formula C14H15NO4 and molecular weight 261.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxylic acid
Also Known As: 5-Bromo-2-pyrimidineacetonitrile, 3-Oxo-2-(tetrahydro-furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid, 3-Oxo-2-((tetrahydrofuran-2-yl)methyl)isoindoline-4-carboxylic acid, BAS 12768828, 3-methylsulfonylbenzenesulfonyl chloride
| Molecular Formula | C14H15NO4 |
|---|---|
| Molecular Weight | 261.10 g/mol |
| LogP | 1.5196 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.1001 |
| Heavy Atoms | 19 |
| Complexity | 534.24756 |
Chemical Identifiers
| CAS Number | 5335-40-0 |
|---|---|
| SMILES | C1CC(OC1)CN2CC3=C(C2=O)C(=CC=C3)C(=O)O |
Product Overview
3-Oxo-2-(tetrahydro-furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid (CAS 5335-40-0), with molecular formula C14H15NO4 and molecular weight 261.10 g/mol. IUPAC: 3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxylic acid.
Chemical Property Profile of 3-Oxo-2-(tetrahydro-furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid
Property Insights of 3-Oxo-2-(tetrahydro-furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid
The XLogP value of 1.5196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-2-(tetrahydro-furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Oxo-2-(tetrahydro-furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid. Following Lipinski's Rule of Five, 3-Oxo-2-(tetrahydro-furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid has 1 hydrogen bond donor(s) and 3 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 3-Oxo-2-(tetrahydro-furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid?
The CAS number of 3-Oxo-2-(tetrahydro-furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid is 5335-40-0.
What is the molecular formula of 3-Oxo-2-(tetrahydro-furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid?
The molecular formula of 3-Oxo-2-(tetrahydro-furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid is C14H15NO4.
What is the molecular weight of 3-Oxo-2-(tetrahydro-furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid?
The molecular weight of 3-Oxo-2-(tetrahydro-furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid is 261.10 g/mol.
Where can I buy 3-Oxo-2-(tetrahydro-furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid?
You can request a quote for 3-Oxo-2-(tetrahydro-furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-2-(tetrahydro-furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-2-(tetrahydro-furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.