1-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, methyl ester, (1S)-
TL;DR: 1-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, methyl ester, (1S)- (CAS 417725-91-8) is a chemical compound with molecular formula C14H19NO4 and molecular weight 265.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Also Known As: 1-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, methyl ester, (1S)-, methyl 2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate, 1-Isoquinolineaceticacid,1,2,3,4-tetrahydro-6,7-dimethoxy-,methylester, Methyl (S)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate, 1-Isoquinolineacetic acid,1,2,3,4-tetrahydro-6,7-dimethoxy-,methyl ester,(1S)-
| Molecular Formula | C14H19NO4 |
|---|---|
| Molecular Weight | 265.13 g/mol |
| LogP | 1.4537 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.1314 |
| Heavy Atoms | 19 |
| Complexity | 472.7589 |
Chemical Identifiers
| CAS Number | 417725-91-8 |
|---|---|
| SMILES | COC1=C(C=C2[C@@H](NCCC2=C1)CC(=O)OC)OC |
Product Overview
1-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, methyl ester, (1S)- (CAS 417725-91-8), with molecular formula C14H19NO4 and molecular weight 265.13 g/mol. IUPAC: methyl 2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate.
Chemical Property Profile of 1-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, methyl ester, (1S)-
Property Insights of 1-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, methyl ester, (1S)-
The XLogP value of 1.4537 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, methyl ester, (1S)-. With a topological polar surface area (TPSA) of 56.79 Ų, 1-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, methyl ester, (1S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, methyl ester, (1S)- 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 1-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, methyl ester, (1S)-?
The CAS number of 1-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, methyl ester, (1S)- is 417725-91-8.
What is the molecular formula of 1-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, methyl ester, (1S)-?
The molecular formula of 1-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, methyl ester, (1S)- is C14H19NO4.
What is the molecular weight of 1-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, methyl ester, (1S)-?
The molecular weight of 1-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, methyl ester, (1S)- is 265.13 g/mol.
Where can I buy 1-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, methyl ester, (1S)-?
You can request a quote for 1-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, methyl ester, (1S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, methyl ester, (1S)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, methyl ester, (1S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.