(3R)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
TL;DR: (3R)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CAS 1842525-43-2) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Also Known As: (3R)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (R)-2-Acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (3R)-2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid, 2-ACETYL-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID, 964-625-9
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.0444 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 400.64493 |
Chemical Identifiers
| CAS Number | 1842525-43-2 |
|---|---|
| SMILES | CC(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)O |
Product Overview
(3R)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CAS 1842525-43-2), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: (3R)-2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid.
Chemical Property Profile of (3R)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Property Insights of (3R)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
The XLogP value of 1.0444 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3R)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid. With a topological polar surface area (TPSA) of 57.61 Ų, (3R)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3R)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid has 1 hydrogen bond donor(s) and 2 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 (3R)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The CAS number of (3R)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is 1842525-43-2.
What is the molecular formula of (3R)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The molecular formula of (3R)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is C12H13NO3.
What is the molecular weight of (3R)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The molecular weight of (3R)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is 219.09 g/mol.
Where can I buy (3R)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
You can request a quote for (3R)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3R)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (3R)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.