1-(2-Carboxyethyl)-4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
TL;DR: 1-(2-Carboxyethyl)-4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (CAS 360-57-6) is a chemical compound with molecular formula C14H14O5 and molecular weight 262.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-carboxyethyl)-4-oxo-2,3-dihydronaphthalene-1-carboxylic acid
Also Known As: NCI60_001401, 1-(2-carboxyethyl)-4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid, 1-(2-carboxyethyl)-4-oxo-2,3-dihydronaphthalene-1-carboxylic acid, 1-carboxy-1,2,3,4-tetrahydro-4-oxo-1-Naphthalenepropanoic acid, 1-Naphthalenepropanoicacid, 1-carboxy-1,2,3,4-tetrahydro-4-oxo-
| Molecular Formula | C14H14O5 |
|---|---|
| Molecular Weight | 262.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.08414 |
| Heavy Atoms | 19 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 360-57-6 |
|---|---|
| SMILES | C1CC(C2=CC=CC=C2C1=O)(CCC(=O)O)C(=O)O |
| InChIKey | VZMPBOYMHBGQPT-UHFFFAOYSA-N |
Product Overview
1-(2-Carboxyethyl)-4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (CAS 360-57-6), with molecular formula C14H14O5 and molecular weight 262.08 g/mol. IUPAC: 1-(2-carboxyethyl)-4-oxo-2,3-dihydronaphthalene-1-carboxylic acid.
Chemical Property Profile of 1-(2-Carboxyethyl)-4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
Property Insights of 1-(2-Carboxyethyl)-4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Carboxyethyl)-4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Carboxyethyl)-4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid. Following Lipinski's Rule of Five, 1-(2-Carboxyethyl)-4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid has 2 hydrogen bond donor(s) and 5 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-(2-Carboxyethyl)-4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
The CAS number of 1-(2-Carboxyethyl)-4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid is 360-57-6.
What is the molecular formula of 1-(2-Carboxyethyl)-4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
The molecular formula of 1-(2-Carboxyethyl)-4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid is C14H14O5.
What is the molecular weight of 1-(2-Carboxyethyl)-4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
The molecular weight of 1-(2-Carboxyethyl)-4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid is 262.08 g/mol.
Where can I buy 1-(2-Carboxyethyl)-4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
You can request a quote for 1-(2-Carboxyethyl)-4-oxo-1,2,3,4-tetrahydronaphthalene-1-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-(2-Carboxyethyl)-4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Carboxyethyl)-4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.