2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoic acid
TL;DR: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoic acid (CAS 6306-53-2) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid
Also Known As: PHT-DL-VAL-OH, N-Phthalyl-DL-valine, N-phthalyl valine, Phthalyl-DL-valine, Phthaloyl-DL-Valine
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 6306-53-2 |
|---|---|
| SMILES | CC(C)C(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | UUIPGCXIZVZSEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoic acid (CAS 6306-53-2), with molecular formula C13H13NO4 and molecular weight 247.08 g/mol. IUPAC: 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid.
Chemical Property Profile of 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoic acid
Property Insights of 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoic acid. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoic acid. Following Lipinski's Rule of Five, 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoic acid has 1 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-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoic acid?
The CAS number of 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoic acid is 6306-53-2.
What is the molecular formula of 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoic acid?
The molecular formula of 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoic acid is C13H13NO4.
What is the molecular weight of 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoic acid?
The molecular weight of 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoic acid is 247.08 g/mol.
Where can I buy 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoic acid?
You can request a quote for 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.