8-Oxodecahydronaphthalene-1-carboxylic acid
TL;DR: 8-Oxodecahydronaphthalene-1-carboxylic acid (CAS 7463-90-3) is a chemical compound with molecular formula C11H16O3 and molecular weight 196.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-oxo-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene-1-carboxylic acid
Also Known As: 8-oxodecahydronaphthalene-1-carboxylic acid, 1-Naphthalenecarboxylic acid, decahydro-8-oxo-, 8-oxo-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene-1-carboxylic acid
| Molecular Formula | C11H16O3 |
|---|---|
| Molecular Weight | 196.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.10994 |
| Heavy Atoms | 14 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 7463-90-3 |
|---|---|
| SMILES | C1CC2CCCC(=O)C2C(C1)C(=O)O |
| InChIKey | YZCIDXMDOZUDAG-UHFFFAOYSA-N |
Product Overview
8-Oxodecahydronaphthalene-1-carboxylic acid (CAS 7463-90-3), with molecular formula C11H16O3 and molecular weight 196.11 g/mol. IUPAC: 8-oxo-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene-1-carboxylic acid.
Chemical Property Profile of 8-Oxodecahydronaphthalene-1-carboxylic acid
Property Insights of 8-Oxodecahydronaphthalene-1-carboxylic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Oxodecahydronaphthalene-1-carboxylic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 8-Oxodecahydronaphthalene-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Oxodecahydronaphthalene-1-carboxylic 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 8-Oxodecahydronaphthalene-1-carboxylic acid?
The CAS number of 8-Oxodecahydronaphthalene-1-carboxylic acid is 7463-90-3.
What is the molecular formula of 8-Oxodecahydronaphthalene-1-carboxylic acid?
The molecular formula of 8-Oxodecahydronaphthalene-1-carboxylic acid is C11H16O3.
What is the molecular weight of 8-Oxodecahydronaphthalene-1-carboxylic acid?
The molecular weight of 8-Oxodecahydronaphthalene-1-carboxylic acid is 196.11 g/mol.
Where can I buy 8-Oxodecahydronaphthalene-1-carboxylic acid?
You can request a quote for 8-Oxodecahydronaphthalene-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 8-Oxodecahydronaphthalene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 8-Oxodecahydronaphthalene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.