Propan-2-yl 2-(1,3-dioxoisoindol-2-yl)acetate
TL;DR: Propan-2-yl 2-(1,3-dioxoisoindol-2-yl)acetate (CAS 101855-37-2) 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.
propan-2-yl 2-(1,3-dioxoisoindol-2-yl)acetate
Also Known As: N-Phthalylglycin-isopropylester, propan-2-yl 2-(1,3-dioxoisoindol-2-yl)acetate, Isopropyl 2-(1,3-dioxoisoindolin-2-yl)acetate, 2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, 1-methylethyl ester, isopropyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 101855-37-2 |
|---|---|
| SMILES | CC(C)OC(=O)CN1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | URWXPEIUWRCVQL-UHFFFAOYSA-N |
Product Overview
Propan-2-yl 2-(1,3-dioxoisoindol-2-yl)acetate (CAS 101855-37-2), with molecular formula C13H13NO4 and molecular weight 247.08 g/mol. IUPAC: propan-2-yl 2-(1,3-dioxoisoindol-2-yl)acetate.
Chemical Property Profile of Propan-2-yl 2-(1,3-dioxoisoindol-2-yl)acetate
Property Insights of Propan-2-yl 2-(1,3-dioxoisoindol-2-yl)acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propan-2-yl 2-(1,3-dioxoisoindol-2-yl)acetate. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Propan-2-yl 2-(1,3-dioxoisoindol-2-yl)acetate. Following Lipinski's Rule of Five, Propan-2-yl 2-(1,3-dioxoisoindol-2-yl)acetate has 0 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 Propan-2-yl 2-(1,3-dioxoisoindol-2-yl)acetate?
The CAS number of Propan-2-yl 2-(1,3-dioxoisoindol-2-yl)acetate is 101855-37-2.
What is the molecular formula of Propan-2-yl 2-(1,3-dioxoisoindol-2-yl)acetate?
The molecular formula of Propan-2-yl 2-(1,3-dioxoisoindol-2-yl)acetate is C13H13NO4.
What is the molecular weight of Propan-2-yl 2-(1,3-dioxoisoindol-2-yl)acetate?
The molecular weight of Propan-2-yl 2-(1,3-dioxoisoindol-2-yl)acetate is 247.08 g/mol.
Where can I buy Propan-2-yl 2-(1,3-dioxoisoindol-2-yl)acetate?
You can request a quote for Propan-2-yl 2-(1,3-dioxoisoindol-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 2-(1,3-dioxoisoindol-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 2-(1,3-dioxoisoindol-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.