Ethyl 3,4-dihydro-6,7-dimethoxy-1-isoquinolinecarboxylate
TL;DR: Ethyl 3,4-dihydro-6,7-dimethoxy-1-isoquinolinecarboxylate (CAS 13326-57-3) is a chemical compound with molecular formula C14H17NO4 and molecular weight 263.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6,7-dimethoxy-3,4-dihydroisoquinoline-1-carboxylate
Also Known As: Ethyl 6,7-dimethoxy-3,4-dihydroisoquinoline-1-carboxylate, J2.174.292I, ETHYL 3,4-DIHYDRO-6,7-DIMETHOXY-1-ISOQUINOLINECARBOXYLATE, 1-Isoquinolinecarboxylic acid, 3,4-dihydro-6,7-dimethoxy-, ethyl ester, Ethyl-3,4-dihydro-6,7-dimethoxy-1-isoquinoline-carboxylat
| Molecular Formula | C14H17NO4 |
|---|---|
| Molecular Weight | 263.12 g/mol |
| LogP | 1.6121 |
| Topological Polar Surface Area | 57.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.11575 |
| Heavy Atoms | 19 |
| Complexity | 522.4224 |
Chemical Identifiers
| CAS Number | 13326-57-3 |
|---|---|
| SMILES | CCOC(=O)C1=NCCC2=CC(=C(C=C21)OC)OC |
Product Overview
Ethyl 3,4-dihydro-6,7-dimethoxy-1-isoquinolinecarboxylate (CAS 13326-57-3), with molecular formula C14H17NO4 and molecular weight 263.12 g/mol. IUPAC: ethyl 6,7-dimethoxy-3,4-dihydroisoquinoline-1-carboxylate.
Chemical Property Profile of Ethyl 3,4-dihydro-6,7-dimethoxy-1-isoquinolinecarboxylate
Property Insights of Ethyl 3,4-dihydro-6,7-dimethoxy-1-isoquinolinecarboxylate
The XLogP value of 1.6121 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,4-dihydro-6,7-dimethoxy-1-isoquinolinecarboxylate. With a topological polar surface area (TPSA) of 57.12 Ų, Ethyl 3,4-dihydro-6,7-dimethoxy-1-isoquinolinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,4-dihydro-6,7-dimethoxy-1-isoquinolinecarboxylate 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 Ethyl 3,4-dihydro-6,7-dimethoxy-1-isoquinolinecarboxylate?
The CAS number of Ethyl 3,4-dihydro-6,7-dimethoxy-1-isoquinolinecarboxylate is 13326-57-3.
What is the molecular formula of Ethyl 3,4-dihydro-6,7-dimethoxy-1-isoquinolinecarboxylate?
The molecular formula of Ethyl 3,4-dihydro-6,7-dimethoxy-1-isoquinolinecarboxylate is C14H17NO4.
What is the molecular weight of Ethyl 3,4-dihydro-6,7-dimethoxy-1-isoquinolinecarboxylate?
The molecular weight of Ethyl 3,4-dihydro-6,7-dimethoxy-1-isoquinolinecarboxylate is 263.12 g/mol.
Where can I buy Ethyl 3,4-dihydro-6,7-dimethoxy-1-isoquinolinecarboxylate?
You can request a quote for Ethyl 3,4-dihydro-6,7-dimethoxy-1-isoquinolinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,4-dihydro-6,7-dimethoxy-1-isoquinolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,4-dihydro-6,7-dimethoxy-1-isoquinolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.