2-(Furan-2-carbonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
TL;DR: 2-(Furan-2-carbonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid (CAS 314-46-5) is a chemical compound with molecular formula C15H13NO4 and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Also Known As: 2-(Furan-2-carbonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid, 2-(furan-2-carbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, BAS 00259038, 2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid, 2-amino-6-(trifluoromethyl)benzoic Acid
| Molecular Formula | C15H13NO4 |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | 1.9313 |
| Topological Polar Surface Area | 70.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.08447 |
| Heavy Atoms | 20 |
| Complexity | 647.65295 |
Chemical Identifiers
| CAS Number | 314-46-5 |
|---|---|
| SMILES | C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CO3)C(=O)O |
Product Overview
2-(Furan-2-carbonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid (CAS 314-46-5), with molecular formula C15H13NO4 and molecular weight 271.08 g/mol. IUPAC: 2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid.
Chemical Property Profile of 2-(Furan-2-carbonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
Property Insights of 2-(Furan-2-carbonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
The XLogP value of 1.9313 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Furan-2-carbonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid. The TPSA of 70.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Furan-2-carbonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid. Following Lipinski's Rule of Five, 2-(Furan-2-carbonyl)-1,2,3,4-tetrahydro-isoquinoline-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-(Furan-2-carbonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid?
The CAS number of 2-(Furan-2-carbonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid is 314-46-5.
What is the molecular formula of 2-(Furan-2-carbonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid?
The molecular formula of 2-(Furan-2-carbonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid is C15H13NO4.
What is the molecular weight of 2-(Furan-2-carbonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid?
The molecular weight of 2-(Furan-2-carbonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid is 271.08 g/mol.
Where can I buy 2-(Furan-2-carbonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid?
You can request a quote for 2-(Furan-2-carbonyl)-1,2,3,4-tetrahydro-isoquinoline-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-(Furan-2-carbonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Furan-2-carbonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.