![3-(4-oxo-3,4,6,7-tetrahydro-2H-pyrido[2,1-a]isoquinolin-1-yl)propanoic acid structure](/static/products/3299/329907-46-2.webp)
3-(4-oxo-3,4,6,7-tetrahydro-2H-pyrido[2,1-a]isoquinolin-1-yl)propanoic acid
TL;DR: 3-(4-oxo-3,4,6,7-tetrahydro-2H-pyrido[2,1-a]isoquinolin-1-yl)propanoic acid (CAS 329907-46-2) is a chemical compound with molecular formula C16H17NO3 and molecular weight 271.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-oxo-2,3,6,7-tetrahydrobenzo[a]quinolizin-1-yl)propanoic acid
Also Known As: ChemDiv1_018672, DivK1c_003456, CDS1_002416, SDCCGMLS-0014791.P002, BAS 02592597
| Molecular Formula | C16H17NO3 |
|---|---|
| Molecular Weight | 271.12 g/mol |
| LogP | 2.441 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.12085 |
| Heavy Atoms | 20 |
| Complexity | 603.4945 |
Chemical Identifiers
| CAS Number | 329907-46-2 |
|---|---|
| SMILES | C1CC(=O)N2CCC3=CC=CC=C3C2=C1CCC(=O)O |
Product Overview
3-(4-oxo-3,4,6,7-tetrahydro-2H-pyrido[2,1-a]isoquinolin-1-yl)propanoic acid (CAS 329907-46-2), with molecular formula C16H17NO3 and molecular weight 271.12 g/mol. IUPAC: 3-(4-oxo-2,3,6,7-tetrahydrobenzo[a]quinolizin-1-yl)propanoic acid.
Chemical Property Profile of 3-(4-oxo-3,4,6,7-tetrahydro-2H-pyrido[2,1-a]isoquinolin-1-yl)propanoic acid
Property Insights of 3-(4-oxo-3,4,6,7-tetrahydro-2H-pyrido[2,1-a]isoquinolin-1-yl)propanoic acid
The XLogP value of 2.441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-oxo-3,4,6,7-tetrahydro-2H-pyrido[2,1-a]isoquinolin-1-yl)propanoic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 3-(4-oxo-3,4,6,7-tetrahydro-2H-pyrido[2,1-a]isoquinolin-1-yl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-oxo-3,4,6,7-tetrahydro-2H-pyrido[2,1-a]isoquinolin-1-yl)propanoic acid has 1 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 3-(4-oxo-3,4,6,7-tetrahydro-2H-pyrido[2,1-a]isoquinolin-1-yl)propanoic acid?
The CAS number of 3-(4-oxo-3,4,6,7-tetrahydro-2H-pyrido[2,1-a]isoquinolin-1-yl)propanoic acid is 329907-46-2.
What is the molecular formula of 3-(4-oxo-3,4,6,7-tetrahydro-2H-pyrido[2,1-a]isoquinolin-1-yl)propanoic acid?
The molecular formula of 3-(4-oxo-3,4,6,7-tetrahydro-2H-pyrido[2,1-a]isoquinolin-1-yl)propanoic acid is C16H17NO3.
What is the molecular weight of 3-(4-oxo-3,4,6,7-tetrahydro-2H-pyrido[2,1-a]isoquinolin-1-yl)propanoic acid?
The molecular weight of 3-(4-oxo-3,4,6,7-tetrahydro-2H-pyrido[2,1-a]isoquinolin-1-yl)propanoic acid is 271.12 g/mol.
Where can I buy 3-(4-oxo-3,4,6,7-tetrahydro-2H-pyrido[2,1-a]isoquinolin-1-yl)propanoic acid?
You can request a quote for 3-(4-oxo-3,4,6,7-tetrahydro-2H-pyrido[2,1-a]isoquinolin-1-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-oxo-3,4,6,7-tetrahydro-2H-pyrido[2,1-a]isoquinolin-1-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-oxo-3,4,6,7-tetrahydro-2H-pyrido[2,1-a]isoquinolin-1-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.