3-(4-Oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid
TL;DR: 3-(4-Oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid (CAS 35883-78-4) is a chemical compound with molecular formula C13H14O3 and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)propanoic acid
Also Known As: 3-(4-Oxotetralin-2-yl)propanoic acid, 3-(4-Oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid, 3-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)propanoic acid
| Molecular Formula | C13H14O3 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.0943 |
| Heavy Atoms | 16 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 35883-78-4 |
|---|---|
| SMILES | C1C(CC(=O)C2=CC=CC=C21)CCC(=O)O |
| InChIKey | GRTLFHIPTCBPMG-UHFFFAOYSA-N |
Product Overview
3-(4-Oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid (CAS 35883-78-4), with molecular formula C13H14O3 and molecular weight 218.09 g/mol. IUPAC: 3-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)propanoic acid.
Chemical Property Profile of 3-(4-Oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid
Property Insights of 3-(4-Oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 3-(4-Oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic 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 3-(4-Oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid?
The CAS number of 3-(4-Oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid is 35883-78-4.
What is the molecular formula of 3-(4-Oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid?
The molecular formula of 3-(4-Oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid is C13H14O3.
What is the molecular weight of 3-(4-Oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid?
The molecular weight of 3-(4-Oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid is 218.09 g/mol.
Where can I buy 3-(4-Oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid?
You can request a quote for 3-(4-Oxo-1,2,3,4-tetrahydronaphthalen-2-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-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.