Methyl 1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylate
TL;DR: Methyl 1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylate (CAS 30740-96-6) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
Also Known As: methyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate, J3.044.411F, Methyl 1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylate, methyl 6,7-dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate, A3945/0168022
| Molecular Formula | C13H17NO4 |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | 0.8911 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.11575 |
| Heavy Atoms | 18 |
| Complexity | 458.54962 |
Chemical Identifiers
| CAS Number | 30740-96-6 |
|---|---|
| SMILES | COC1=C(C=C2CNC(CC2=C1)C(=O)OC)OC |
Product Overview
Methyl 1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylate (CAS 30740-96-6), with molecular formula C13H17NO4 and molecular weight 251.12 g/mol. IUPAC: methyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate.
Chemical Property Profile of Methyl 1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylate
Property Insights of Methyl 1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylate
The XLogP value of 0.8911 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylate. With a topological polar surface area (TPSA) of 56.79 Ų, Methyl 1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylate has 1 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 Methyl 1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylate?
The CAS number of Methyl 1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylate is 30740-96-6.
What is the molecular formula of Methyl 1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylate?
The molecular formula of Methyl 1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylate is C13H17NO4.
What is the molecular weight of Methyl 1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylate?
The molecular weight of Methyl 1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylate is 251.12 g/mol.
Where can I buy Methyl 1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylate?
You can request a quote for Methyl 1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.