2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
TL;DR: 2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione (CAS 1005281-23-1) is a chemical compound with molecular formula C18H19NO5 and molecular weight 329.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-dimethoxyphenyl)ethyl]-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
Also Known As: 2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione, VU0507594-1, F3023-0203, AS-871/43476033, 2-[2-(3,4-dimethoxyphenyl)ethyl]-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
| Molecular Formula | C18H19NO5 |
|---|---|
| Molecular Weight | 329.13 g/mol |
| LogP | 1.1847 |
| Topological Polar Surface Area | 65.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.1263 |
| Heavy Atoms | 24 |
| Complexity | 698.1193 |
Chemical Identifiers
| CAS Number | 1005281-23-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C(=O)C3C4C=CC(C3C2=O)O4)OC |
Product Overview
2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione (CAS 1005281-23-1), with molecular formula C18H19NO5 and molecular weight 329.13 g/mol. IUPAC: 2-[2-(3,4-dimethoxyphenyl)ethyl]-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione.
Chemical Property Profile of 2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Property Insights of 2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
The XLogP value of 1.1847 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione. The TPSA of 65.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione has 0 hydrogen bond donor(s) and 5 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-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione?
The CAS number of 2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione is 1005281-23-1.
What is the molecular formula of 2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione?
The molecular formula of 2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione is C18H19NO5.
What is the molecular weight of 2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione?
The molecular weight of 2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione is 329.13 g/mol.
Where can I buy 2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione?
You can request a quote for 2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.