1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-4,6-isoquinolinediol
TL;DR: 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-4,6-isoquinolinediol (CAS 93202-94-9) is a chemical compound with molecular formula C18H21NO5 and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol
Also Known As: 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-4,6-isoquinolinediol, 1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol, RefChem:214431
| Molecular Formula | C18H21NO5 |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 80.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.14197 |
| Heavy Atoms | 24 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 93202-94-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2C3=C(C=C(C=C3)O)C(CN2)O |
| InChIKey | CVFNGTJMIOZQEP-UHFFFAOYSA-N |
Product Overview
1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-4,6-isoquinolinediol (CAS 93202-94-9), with molecular formula C18H21NO5 and molecular weight 331.14 g/mol. IUPAC: 1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol.
Chemical Property Profile of 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-4,6-isoquinolinediol
Property Insights of 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-4,6-isoquinolinediol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-4,6-isoquinolinediol. The TPSA of 80.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-4,6-isoquinolinediol. Following Lipinski's Rule of Five, 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-4,6-isoquinolinediol has 3 hydrogen bond donor(s) and 6 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 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-4,6-isoquinolinediol?
The CAS number of 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-4,6-isoquinolinediol is 93202-94-9.
What is the molecular formula of 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-4,6-isoquinolinediol?
The molecular formula of 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-4,6-isoquinolinediol is C18H21NO5.
What is the molecular weight of 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-4,6-isoquinolinediol?
The molecular weight of 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-4,6-isoquinolinediol is 331.14 g/mol.
Where can I buy 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-4,6-isoquinolinediol?
You can request a quote for 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-4,6-isoquinolinediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-4,6-isoquinolinediol?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-4,6-isoquinolinediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.