2-(Acetylamino)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
TL;DR: 2-(Acetylamino)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (CAS 39246-31-6) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-3,4-dihydro-1H-naphthalene-2-carboxylic acid
Also Known As: 2-(acetylamino)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid, 2-acetamido-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid, 2-acetamido-3,4-dihydro-1H-naphthalene-2-carboxylic acid
| Molecular Formula | C13H15NO3 |
|---|---|
| Molecular Weight | 233.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.1052 |
| Heavy Atoms | 17 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 39246-31-6 |
|---|---|
| SMILES | CC(=O)NC1(CCC2=CC=CC=C2C1)C(=O)O |
| InChIKey | HSEBSCDFIYQNRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Acetylamino)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (CAS 39246-31-6), with molecular formula C13H15NO3 and molecular weight 233.11 g/mol. IUPAC: 2-acetamido-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
Chemical Property Profile of 2-(Acetylamino)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
Property Insights of 2-(Acetylamino)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Acetylamino)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Acetylamino)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid. Following Lipinski's Rule of Five, 2-(Acetylamino)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid has 2 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-(Acetylamino)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The CAS number of 2-(Acetylamino)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is 39246-31-6.
What is the molecular formula of 2-(Acetylamino)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The molecular formula of 2-(Acetylamino)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is C13H15NO3.
What is the molecular weight of 2-(Acetylamino)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The molecular weight of 2-(Acetylamino)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is 233.11 g/mol.
Where can I buy 2-(Acetylamino)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
You can request a quote for 2-(Acetylamino)-1,2,3,4-tetrahydronaphthalene-2-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-(Acetylamino)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetylamino)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.