2-(4-Methylbenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
TL;DR: 2-(4-Methylbenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CAS 99479-66-0) is a chemical compound with molecular formula C18H17NO3 and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Also Known As: 2-(4-Methyl-benzoyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid, 2-(4-methylbenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, TIMTEC-BB SBB012302, 3560AE, BAS 03049506
| Molecular Formula | C18H17NO3 |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.12085 |
| Heavy Atoms | 22 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 99479-66-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N2CC3=CC=CC=C3CC2C(=O)O |
| InChIKey | KCVCTQYFLDSAOL-UHFFFAOYSA-N |
Product Overview
2-(4-Methylbenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CAS 99479-66-0), with molecular formula C18H17NO3 and molecular weight 295.12 g/mol. IUPAC: 2-(4-methylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid.
Chemical Property Profile of 2-(4-Methylbenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Property Insights of 2-(4-Methylbenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methylbenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid. With a topological polar surface area (TPSA) of 57.6 Ų, 2-(4-Methylbenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methylbenzoyl)-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-(4-Methylbenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The CAS number of 2-(4-Methylbenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is 99479-66-0.
What is the molecular formula of 2-(4-Methylbenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The molecular formula of 2-(4-Methylbenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is C18H17NO3.
What is the molecular weight of 2-(4-Methylbenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The molecular weight of 2-(4-Methylbenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is 295.12 g/mol.
Where can I buy 2-(4-Methylbenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
You can request a quote for 2-(4-Methylbenzoyl)-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-(4-Methylbenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylbenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.