3-(6-Ethenyl-4-methyl-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-2-methyl-7,8-isoquinolinediol
TL;DR: 3-(6-Ethenyl-4-methyl-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-2-methyl-7,8-isoquinolinediol (CAS 55299-21-3) is a chemical compound with molecular formula C20H21NO4 and molecular weight 339.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-ethenyl-4-methyl-1,3-benzodioxol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinoline-7,8-diol
Also Known As: 3-(6-Ethenyl-4-methyl-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-2-methyl-7,8-isoquinolinediol, 7,8-Isoquinolinediol, 3-(6-ethenyl-4-methyl-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-2-methyl-, 2-Methyl-3-(4-methyl-6-vinyl-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-7,8-isoquinolinediol, 2-Methyl-3-(4-methyl-6-vinyl-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-7,8-isoquinolinediol #, 3-(6-ethenyl-4-methyl-1,3-benzodioxol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinoline-7,8-diol
| Molecular Formula | C20H21NO4 |
|---|---|
| Molecular Weight | 339.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.14706 |
| Heavy Atoms | 25 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 55299-21-3 |
|---|---|
| SMILES | CC1=C(C(=CC2=C1OCO2)C=C)C3CC4=C(CN3C)C(=C(C=C4)O)O |
| InChIKey | UCGNVPDCDDTAID-UHFFFAOYSA-N |
Product Overview
3-(6-Ethenyl-4-methyl-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-2-methyl-7,8-isoquinolinediol (CAS 55299-21-3), with molecular formula C20H21NO4 and molecular weight 339.15 g/mol. IUPAC: 3-(6-ethenyl-4-methyl-1,3-benzodioxol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinoline-7,8-diol.
Chemical Property Profile of 3-(6-Ethenyl-4-methyl-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-2-methyl-7,8-isoquinolinediol
Property Insights of 3-(6-Ethenyl-4-methyl-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-2-methyl-7,8-isoquinolinediol
The XLogP value of 3.6 indicates that 3-(6-Ethenyl-4-methyl-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-2-methyl-7,8-isoquinolinediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6-Ethenyl-4-methyl-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-2-methyl-7,8-isoquinolinediol. Following Lipinski's Rule of Five, 3-(6-Ethenyl-4-methyl-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-2-methyl-7,8-isoquinolinediol has 2 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 3-(6-Ethenyl-4-methyl-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-2-methyl-7,8-isoquinolinediol?
The CAS number of 3-(6-Ethenyl-4-methyl-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-2-methyl-7,8-isoquinolinediol is 55299-21-3.
What is the molecular formula of 3-(6-Ethenyl-4-methyl-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-2-methyl-7,8-isoquinolinediol?
The molecular formula of 3-(6-Ethenyl-4-methyl-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-2-methyl-7,8-isoquinolinediol is C20H21NO4.
What is the molecular weight of 3-(6-Ethenyl-4-methyl-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-2-methyl-7,8-isoquinolinediol?
The molecular weight of 3-(6-Ethenyl-4-methyl-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-2-methyl-7,8-isoquinolinediol is 339.15 g/mol.
Where can I buy 3-(6-Ethenyl-4-methyl-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-2-methyl-7,8-isoquinolinediol?
You can request a quote for 3-(6-Ethenyl-4-methyl-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-2-methyl-7,8-isoquinolinediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(6-Ethenyl-4-methyl-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-2-methyl-7,8-isoquinolinediol?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-Ethenyl-4-methyl-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-2-methyl-7,8-isoquinolinediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.