![2-(2-{[1-(2,4-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}acetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid structure](/static/products/1031/1031803-69-6.webp)
2-(2-{[1-(2,4-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}acetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
TL;DR: 2-(2-{[1-(2,4-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}acetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CAS 1031803-69-6) is a chemical compound with molecular formula C23H23N3O3S and molecular weight 421.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Also Known As: 2-(2-{[1-(2,4-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}acetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, 2-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid, 2-{2-[1-(2,4-dimethylphenyl)imidazol-2-ylthio]acetyl}-1,2,3,4-tetrahydroisoqui noline-3-carboxylic acid
| Molecular Formula | C23H23N3O3S |
|---|---|
| Molecular Weight | 421.15 g/mol |
| LogP | 3.61934 |
| Topological Polar Surface Area | 75.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.14603 |
| Heavy Atoms | 30 |
| Complexity | 1108.5778 |
Chemical Identifiers
| CAS Number | 1031803-69-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C=CN=C2SCC(=O)N3CC4=CC=CC=C4CC3C(=O)O)C |
Product Overview
2-(2-{[1-(2,4-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}acetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CAS 1031803-69-6), with molecular formula C23H23N3O3S and molecular weight 421.15 g/mol. IUPAC: 2-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid.
Chemical Property Profile of 2-(2-{[1-(2,4-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}acetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Property Insights of 2-(2-{[1-(2,4-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}acetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
The XLogP value of 3.61934 indicates that 2-(2-{[1-(2,4-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}acetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-{[1-(2,4-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}acetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid. Following Lipinski's Rule of Five, 2-(2-{[1-(2,4-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}acetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid has 1 hydrogen bond donor(s) and 4 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-{[1-(2,4-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}acetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The CAS number of 2-(2-{[1-(2,4-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}acetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is 1031803-69-6.
What is the molecular formula of 2-(2-{[1-(2,4-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}acetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The molecular formula of 2-(2-{[1-(2,4-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}acetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is C23H23N3O3S.
What is the molecular weight of 2-(2-{[1-(2,4-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}acetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The molecular weight of 2-(2-{[1-(2,4-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}acetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is 421.15 g/mol.
Where can I buy 2-(2-{[1-(2,4-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}acetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
You can request a quote for 2-(2-{[1-(2,4-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}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-{[1-(2,4-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}acetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-{[1-(2,4-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}acetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.