1,2-Dihydro-4,4-dimethyl-1-oxo-2-naphthalenecarboxylic acid
TL;DR: 1,2-Dihydro-4,4-dimethyl-1-oxo-2-naphthalenecarboxylic acid (CAS 88296-21-3) 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.
4,4-dimethyl-1-oxo-2,3-dihydronaphthalene-2-carboxylic acid
Also Known As: 1,2-Ddona, 1,2-Dihydro-4,4-dimethyl-1-oxo-2-naphthalenecarboxylic acid, 4,4-dimethyl-1-oxo-2,3-dihydronaphthalene-2-carboxylic acid, 4,4-Dimethyl-1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid, RefChem:71911
| Molecular Formula | C13H14O3 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.0943 |
| Heavy Atoms | 16 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 88296-21-3 |
|---|---|
| SMILES | CC1(CC(C(=O)C2=CC=CC=C21)C(=O)O)C |
| InChIKey | ZJZHIDLIMJMPHS-UHFFFAOYSA-N |
Product Overview
1,2-Dihydro-4,4-dimethyl-1-oxo-2-naphthalenecarboxylic acid (CAS 88296-21-3), with molecular formula C13H14O3 and molecular weight 218.09 g/mol. IUPAC: 4,4-dimethyl-1-oxo-2,3-dihydronaphthalene-2-carboxylic acid.
Chemical Property Profile of 1,2-Dihydro-4,4-dimethyl-1-oxo-2-naphthalenecarboxylic acid
Property Insights of 1,2-Dihydro-4,4-dimethyl-1-oxo-2-naphthalenecarboxylic acid
The XLogP value of 3.2 indicates that 1,2-Dihydro-4,4-dimethyl-1-oxo-2-naphthalenecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 1,2-Dihydro-4,4-dimethyl-1-oxo-2-naphthalenecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dihydro-4,4-dimethyl-1-oxo-2-naphthalenecarboxylic 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 1,2-Dihydro-4,4-dimethyl-1-oxo-2-naphthalenecarboxylic acid?
The CAS number of 1,2-Dihydro-4,4-dimethyl-1-oxo-2-naphthalenecarboxylic acid is 88296-21-3.
What is the molecular formula of 1,2-Dihydro-4,4-dimethyl-1-oxo-2-naphthalenecarboxylic acid?
The molecular formula of 1,2-Dihydro-4,4-dimethyl-1-oxo-2-naphthalenecarboxylic acid is C13H14O3.
What is the molecular weight of 1,2-Dihydro-4,4-dimethyl-1-oxo-2-naphthalenecarboxylic acid?
The molecular weight of 1,2-Dihydro-4,4-dimethyl-1-oxo-2-naphthalenecarboxylic acid is 218.09 g/mol.
Where can I buy 1,2-Dihydro-4,4-dimethyl-1-oxo-2-naphthalenecarboxylic acid?
You can request a quote for 1,2-Dihydro-4,4-dimethyl-1-oxo-2-naphthalenecarboxylic 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-Dihydro-4,4-dimethyl-1-oxo-2-naphthalenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dihydro-4,4-dimethyl-1-oxo-2-naphthalenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.