3-Buta-1,3-dien-2-yl-3-hydroxy-2-methylisoindol-1-one
TL;DR: 3-Buta-1,3-dien-2-yl-3-hydroxy-2-methylisoindol-1-one (CAS 83451-46-1) is a chemical compound with molecular formula C13H13NO2 and molecular weight 215.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-buta-1,3-dien-2-yl-3-hydroxy-2-methylisoindol-1-one
Also Known As: 3-buta-1,3-dien-2-yl-3-hydroxy-2-methylisoindol-1-one, 3-(Buta-1,3-dien-2-yl)-3-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one
| Molecular Formula | C13H13NO2 |
|---|---|
| Molecular Weight | 215.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.09464 |
| Heavy Atoms | 16 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 83451-46-1 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2C1(C(=C)C=C)O |
| InChIKey | UVKFHBYPISACEJ-UHFFFAOYSA-N |
Product Overview
3-Buta-1,3-dien-2-yl-3-hydroxy-2-methylisoindol-1-one (CAS 83451-46-1), with molecular formula C13H13NO2 and molecular weight 215.09 g/mol. IUPAC: 3-buta-1,3-dien-2-yl-3-hydroxy-2-methylisoindol-1-one.
Chemical Property Profile of 3-Buta-1,3-dien-2-yl-3-hydroxy-2-methylisoindol-1-one
Property Insights of 3-Buta-1,3-dien-2-yl-3-hydroxy-2-methylisoindol-1-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buta-1,3-dien-2-yl-3-hydroxy-2-methylisoindol-1-one. With a topological polar surface area (TPSA) of 40.5 Ų, 3-Buta-1,3-dien-2-yl-3-hydroxy-2-methylisoindol-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buta-1,3-dien-2-yl-3-hydroxy-2-methylisoindol-1-one has 1 hydrogen bond donor(s) and 2 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-Buta-1,3-dien-2-yl-3-hydroxy-2-methylisoindol-1-one?
The CAS number of 3-Buta-1,3-dien-2-yl-3-hydroxy-2-methylisoindol-1-one is 83451-46-1.
What is the molecular formula of 3-Buta-1,3-dien-2-yl-3-hydroxy-2-methylisoindol-1-one?
The molecular formula of 3-Buta-1,3-dien-2-yl-3-hydroxy-2-methylisoindol-1-one is C13H13NO2.
What is the molecular weight of 3-Buta-1,3-dien-2-yl-3-hydroxy-2-methylisoindol-1-one?
The molecular weight of 3-Buta-1,3-dien-2-yl-3-hydroxy-2-methylisoindol-1-one is 215.09 g/mol.
Where can I buy 3-Buta-1,3-dien-2-yl-3-hydroxy-2-methylisoindol-1-one?
You can request a quote for 3-Buta-1,3-dien-2-yl-3-hydroxy-2-methylisoindol-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buta-1,3-dien-2-yl-3-hydroxy-2-methylisoindol-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Buta-1,3-dien-2-yl-3-hydroxy-2-methylisoindol-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.