2-(2-Hydroxybut-3-enyl)isoindole-1,3-dione
TL;DR: 2-(2-Hydroxybut-3-enyl)isoindole-1,3-dione (CAS 1855-22-7) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxybut-3-enyl)isoindole-1,3-dione
Also Known As: 2-(2-hydroxybut-3-enyl)isoindole-1,3-dione, N-(2-Hydroxy-3-butenyl)phthalimide, 2-(2-Hydroxybut-3-en-1-yl)isoindoline-1,3-dione, N-(2-Hydroxy-3-butenyl)phthalimide, 97%, 2-(2-Hydroxybut-3-enyl)isoindoline-1,3-dione
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 1855-22-7 |
|---|---|
| SMILES | C=CC(CN1C(=O)C2=CC=CC=C2C1=O)O |
| InChIKey | OWEYCEAOEGYVFC-UHFFFAOYSA-N |
Product Overview
2-(2-Hydroxybut-3-enyl)isoindole-1,3-dione (CAS 1855-22-7), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: 2-(2-hydroxybut-3-enyl)isoindole-1,3-dione.
Chemical Property Profile of 2-(2-Hydroxybut-3-enyl)isoindole-1,3-dione
Property Insights of 2-(2-Hydroxybut-3-enyl)isoindole-1,3-dione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Hydroxybut-3-enyl)isoindole-1,3-dione. With a topological polar surface area (TPSA) of 57.6 Ų, 2-(2-Hydroxybut-3-enyl)isoindole-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Hydroxybut-3-enyl)isoindole-1,3-dione 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 2-(2-Hydroxybut-3-enyl)isoindole-1,3-dione?
The CAS number of 2-(2-Hydroxybut-3-enyl)isoindole-1,3-dione is 1855-22-7.
What is the molecular formula of 2-(2-Hydroxybut-3-enyl)isoindole-1,3-dione?
The molecular formula of 2-(2-Hydroxybut-3-enyl)isoindole-1,3-dione is C12H11NO3.
What is the molecular weight of 2-(2-Hydroxybut-3-enyl)isoindole-1,3-dione?
The molecular weight of 2-(2-Hydroxybut-3-enyl)isoindole-1,3-dione is 217.07 g/mol.
Where can I buy 2-(2-Hydroxybut-3-enyl)isoindole-1,3-dione?
You can request a quote for 2-(2-Hydroxybut-3-enyl)isoindole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Hydroxybut-3-enyl)isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Hydroxybut-3-enyl)isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.