1-Oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
TL;DR: 1-Oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid (CAS 851814-30-7) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxo-3-phenyl-3,4-dihydro-2H-isoquinoline-6-carboxylic acid
Also Known As: 1-oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid, 1-oxo-3-phenyl-3,4-dihydro-2H-isoquinoline-6-carboxylic Acid, VU0613209-1, 1-oxo-3-phenyl-1,2,3,4-tetrahydro-6-isoquinolinecarboxylic acid, 1-oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylicacid
| Molecular Formula | C16H13NO3 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 2.412 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.08954 |
| Heavy Atoms | 20 |
| Complexity | 679.3763 |
Chemical Identifiers
| CAS Number | 851814-30-7 |
|---|---|
| SMILES | C1C(NC(=O)C2=C1C=C(C=C2)C(=O)O)C3=CC=CC=C3 |
Product Overview
1-Oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid (CAS 851814-30-7), with molecular formula C16H13NO3 and molecular weight 267.09 g/mol. IUPAC: 1-oxo-3-phenyl-3,4-dihydro-2H-isoquinoline-6-carboxylic acid.
Chemical Property Profile of 1-Oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
Property Insights of 1-Oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
The XLogP value of 2.412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid. Following Lipinski's Rule of Five, 1-Oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid has 2 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 1-Oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid?
The CAS number of 1-Oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid is 851814-30-7.
What is the molecular formula of 1-Oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid?
The molecular formula of 1-Oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid is C16H13NO3.
What is the molecular weight of 1-Oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid?
The molecular weight of 1-Oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid is 267.09 g/mol.
Where can I buy 1-Oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid?
You can request a quote for 1-Oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.