2-(1-hydroxybutan-2-yl)isoindoline-1,3-dione
TL;DR: 2-(1-hydroxybutan-2-yl)isoindoline-1,3-dione (CAS 169331-29-7) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2R)-1-hydroxybutan-2-yl]isoindole-1,3-dione
Also Known As: 2-(1-hydroxybutan-2-yl)isoindoline-1,3-dione, 2-[(R)-1-(Hydroxymethyl)propyl]isoindoline-1,3-dione, 2-[(2R)-1-hydroxybutan-2-yl]isoindole-1,3-dione, 2-((R)-1-Hydroxymethyl-propyl)-isoindole-1,3-dione, 2-[1-(hydroxymethyl)propyl]-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 169331-29-7 |
|---|---|
| SMILES | CC[C@H](CO)N1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | IBGZCJUHWHWXSL-MRVPVSSYSA-N |
Product Overview
2-(1-hydroxybutan-2-yl)isoindoline-1,3-dione (CAS 169331-29-7), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: 2-[(2R)-1-hydroxybutan-2-yl]isoindole-1,3-dione.
Chemical Property Profile of 2-(1-hydroxybutan-2-yl)isoindoline-1,3-dione
Property Insights of 2-(1-hydroxybutan-2-yl)isoindoline-1,3-dione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-hydroxybutan-2-yl)isoindoline-1,3-dione. With a topological polar surface area (TPSA) of 57.6 Ų, 2-(1-hydroxybutan-2-yl)isoindoline-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-hydroxybutan-2-yl)isoindoline-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-(1-hydroxybutan-2-yl)isoindoline-1,3-dione?
The CAS number of 2-(1-hydroxybutan-2-yl)isoindoline-1,3-dione is 169331-29-7.
What is the molecular formula of 2-(1-hydroxybutan-2-yl)isoindoline-1,3-dione?
The molecular formula of 2-(1-hydroxybutan-2-yl)isoindoline-1,3-dione is C12H13NO3.
What is the molecular weight of 2-(1-hydroxybutan-2-yl)isoindoline-1,3-dione?
The molecular weight of 2-(1-hydroxybutan-2-yl)isoindoline-1,3-dione is 219.09 g/mol.
Where can I buy 2-(1-hydroxybutan-2-yl)isoindoline-1,3-dione?
You can request a quote for 2-(1-hydroxybutan-2-yl)isoindoline-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-(1-hydroxybutan-2-yl)isoindoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-hydroxybutan-2-yl)isoindoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.