![2-[2-(3,5-dimethylphenoxy)acetyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid structure](/static/products/1008/1008369-07-0.webp)
2-[2-(3,5-dimethylphenoxy)acetyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
TL;DR: 2-[2-(3,5-dimethylphenoxy)acetyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CAS 1008369-07-0) is a chemical compound with molecular formula C20H21NO4 and molecular weight 339.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,5-dimethylphenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Also Known As: 2-[2-(3,5-dimethylphenoxy)acetyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, 2-[2-(3,5-dimethylphenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic Acid, 2-[(3,5-dimethylphenoxy)acetyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, 2-[2-(3,5-dimethylphenoxy)acetyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid
| Molecular Formula | C20H21NO4 |
|---|---|
| Molecular Weight | 339.15 g/mol |
| LogP | 2.72034 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.14706 |
| Heavy Atoms | 25 |
| Complexity | 794.8435 |
Chemical Identifiers
| CAS Number | 1008369-07-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OCC(=O)N2CC3=CC=CC=C3CC2C(=O)O)C |
Product Overview
2-[2-(3,5-dimethylphenoxy)acetyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CAS 1008369-07-0), with molecular formula C20H21NO4 and molecular weight 339.15 g/mol. IUPAC: 2-[2-(3,5-dimethylphenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid.
Chemical Property Profile of 2-[2-(3,5-dimethylphenoxy)acetyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Property Insights of 2-[2-(3,5-dimethylphenoxy)acetyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
The XLogP value of 2.72034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(3,5-dimethylphenoxy)acetyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(3,5-dimethylphenoxy)acetyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid. Following Lipinski's Rule of Five, 2-[2-(3,5-dimethylphenoxy)acetyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid has 1 hydrogen bond donor(s) and 3 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 2-[2-(3,5-dimethylphenoxy)acetyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The CAS number of 2-[2-(3,5-dimethylphenoxy)acetyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is 1008369-07-0.
What is the molecular formula of 2-[2-(3,5-dimethylphenoxy)acetyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The molecular formula of 2-[2-(3,5-dimethylphenoxy)acetyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is C20H21NO4.
What is the molecular weight of 2-[2-(3,5-dimethylphenoxy)acetyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The molecular weight of 2-[2-(3,5-dimethylphenoxy)acetyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is 339.15 g/mol.
Where can I buy 2-[2-(3,5-dimethylphenoxy)acetyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
You can request a quote for 2-[2-(3,5-dimethylphenoxy)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 2-[2-(3,5-dimethylphenoxy)acetyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(3,5-dimethylphenoxy)acetyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.