2-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one
TL;DR: 2-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one (CAS 732259-15-3) is a chemical compound with molecular formula C17H19NO4 and molecular weight 301.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-4,5,6,7-tetrahydro-3H-isoindol-1-one
Also Known As: starbld0045751, 2-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one, 2-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-4,5,6,7-tetrahydro-3H-isoindol-1-one, 2-(Benzo[d][1,3]dioxol-5-ylmethyl)-3-methoxy-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one, 2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methoxy-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one
| Molecular Formula | C17H19NO4 |
|---|---|
| Molecular Weight | 301.13 g/mol |
| LogP | 2.6006 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.1314 |
| Heavy Atoms | 22 |
| Complexity | 652.0591 |
Chemical Identifiers
| CAS Number | 732259-15-3 |
|---|---|
| SMILES | COC1C2=C(CCCC2)C(=O)N1CC3=CC4=C(C=C3)OCO4 |
Product Overview
2-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one (CAS 732259-15-3), with molecular formula C17H19NO4 and molecular weight 301.13 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-4,5,6,7-tetrahydro-3H-isoindol-1-one.
Chemical Property Profile of 2-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one
Property Insights of 2-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one
The XLogP value of 2.6006 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one. With a topological polar surface area (TPSA) of 48.0 Ų, 2-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one 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 2-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one?
The CAS number of 2-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one is 732259-15-3.
What is the molecular formula of 2-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one?
The molecular formula of 2-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one is C17H19NO4.
What is the molecular weight of 2-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one?
The molecular weight of 2-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one is 301.13 g/mol.
Where can I buy 2-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one?
You can request a quote for 2-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one 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-benzodioxol-5-ylmethyl)-3-methoxy-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.