(-)-1,2,3,4-Tetrahydroisoquinolin-1-carboxylic acid, 1-benzyl-
TL;DR: (-)-1,2,3,4-Tetrahydroisoquinolin-1-carboxylic acid, 1-benzyl- (CAS 115666-54-1) is a chemical compound with molecular formula C20H23NO4 and molecular weight 341.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-benzyl-6,7-dimethoxy-3,4-dihydro-2H-isoquinoline-1-carboxylate
Also Known As: (-)-1,2,3,4-Tetrahydroisoquinolin-1-carboxylic acid, 1-benzyl-, methyl 1-benzyl-6,7-dimethoxy-3,4-dihydro-2H-isoquinoline-1-carboxylate, (RS)-methyl 1-benzyl-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline-1-carboxylate, 1-Benzyl-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acid methyl ester, Methyl 1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinecarboxylate #
| Molecular Formula | C20H23NO4 |
|---|---|
| Molecular Weight | 341.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.16272 |
| Heavy Atoms | 25 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 115666-54-1 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CCNC2(CC3=CC=CC=C3)C(=O)OC)OC |
| InChIKey | YPTVRLCNHDIUFQ-UHFFFAOYSA-N |
Product Overview
(-)-1,2,3,4-Tetrahydroisoquinolin-1-carboxylic acid, 1-benzyl- (CAS 115666-54-1), with molecular formula C20H23NO4 and molecular weight 341.16 g/mol. IUPAC: methyl 1-benzyl-6,7-dimethoxy-3,4-dihydro-2H-isoquinoline-1-carboxylate.
Chemical Property Profile of (-)-1,2,3,4-Tetrahydroisoquinolin-1-carboxylic acid, 1-benzyl-
Property Insights of (-)-1,2,3,4-Tetrahydroisoquinolin-1-carboxylic acid, 1-benzyl-
The XLogP value of 3.2 indicates that (-)-1,2,3,4-Tetrahydroisoquinolin-1-carboxylic acid, 1-benzyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.8 Ų, (-)-1,2,3,4-Tetrahydroisoquinolin-1-carboxylic acid, 1-benzyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (-)-1,2,3,4-Tetrahydroisoquinolin-1-carboxylic acid, 1-benzyl- 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 (-)-1,2,3,4-Tetrahydroisoquinolin-1-carboxylic acid, 1-benzyl-?
The CAS number of (-)-1,2,3,4-Tetrahydroisoquinolin-1-carboxylic acid, 1-benzyl- is 115666-54-1.
What is the molecular formula of (-)-1,2,3,4-Tetrahydroisoquinolin-1-carboxylic acid, 1-benzyl-?
The molecular formula of (-)-1,2,3,4-Tetrahydroisoquinolin-1-carboxylic acid, 1-benzyl- is C20H23NO4.
What is the molecular weight of (-)-1,2,3,4-Tetrahydroisoquinolin-1-carboxylic acid, 1-benzyl-?
The molecular weight of (-)-1,2,3,4-Tetrahydroisoquinolin-1-carboxylic acid, 1-benzyl- is 341.16 g/mol.
Where can I buy (-)-1,2,3,4-Tetrahydroisoquinolin-1-carboxylic acid, 1-benzyl-?
You can request a quote for (-)-1,2,3,4-Tetrahydroisoquinolin-1-carboxylic acid, 1-benzyl- 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-Tetrahydroisoquinolin-1-carboxylic acid, 1-benzyl-?
Yes, KEHONG BIO provides custom synthesis services for (-)-1,2,3,4-Tetrahydroisoquinolin-1-carboxylic acid, 1-benzyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.