2-(4a,8-Dimethyl-7-oxo-1,2,3,4,5,6,8,8a-octahydronaphthalen-2-yl)propanoic acid
TL;DR: 2-(4a,8-Dimethyl-7-oxo-1,2,3,4,5,6,8,8a-octahydronaphthalen-2-yl)propanoic acid (CAS 59553-50-3) is a chemical compound with molecular formula C15H24O3 and molecular weight 252.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4a,8-dimethyl-7-oxo-1,2,3,4,5,6,8,8a-octahydronaphthalen-2-yl)propanoic acid
Also Known As: 2-(4a,8-dimethyl-7-oxo-1,2,3,4,5,6,8,8a-octahydronaphthalen-2-yl)propanoic acid, 2-(4a,8-Dimethyl-7-oxodecahydronaphthalen-2-yl)propanoic acid, 2-(4a,8-dimethyl-7-oxo-1,2,3,4,5,6,8,8a-octahydronaphthalen-, 2-(4a,8-Dimethyl-7-oxodecahydro-2-naphthalenyl)propanoic acid #, 2-Naphthaleneacetic acid, decahydro-.alpha.,4a,8-trimethyl-7-oxo-, [2R-[2.alpha.(S*),4a.alpha.,8.alpha.,8a.alpha.]]-
| Molecular Formula | C15H24O3 |
|---|---|
| Molecular Weight | 252.17 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.17255 |
| Heavy Atoms | 18 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 59553-50-3 |
|---|---|
| SMILES | CC1C2CC(CCC2(CCC1=O)C)C(C)C(=O)O |
| InChIKey | WXRFPOURRUGJGZ-UHFFFAOYSA-N |
Product Overview
2-(4a,8-Dimethyl-7-oxo-1,2,3,4,5,6,8,8a-octahydronaphthalen-2-yl)propanoic acid (CAS 59553-50-3), with molecular formula C15H24O3 and molecular weight 252.17 g/mol. IUPAC: 2-(4a,8-dimethyl-7-oxo-1,2,3,4,5,6,8,8a-octahydronaphthalen-2-yl)propanoic acid.
Chemical Property Profile of 2-(4a,8-Dimethyl-7-oxo-1,2,3,4,5,6,8,8a-octahydronaphthalen-2-yl)propanoic acid
Property Insights of 2-(4a,8-Dimethyl-7-oxo-1,2,3,4,5,6,8,8a-octahydronaphthalen-2-yl)propanoic acid
The XLogP value of 3.2 indicates that 2-(4a,8-Dimethyl-7-oxo-1,2,3,4,5,6,8,8a-octahydronaphthalen-2-yl)propanoic 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, 2-(4a,8-Dimethyl-7-oxo-1,2,3,4,5,6,8,8a-octahydronaphthalen-2-yl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4a,8-Dimethyl-7-oxo-1,2,3,4,5,6,8,8a-octahydronaphthalen-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 2-(4a,8-Dimethyl-7-oxo-1,2,3,4,5,6,8,8a-octahydronaphthalen-2-yl)propanoic acid?
The CAS number of 2-(4a,8-Dimethyl-7-oxo-1,2,3,4,5,6,8,8a-octahydronaphthalen-2-yl)propanoic acid is 59553-50-3.
What is the molecular formula of 2-(4a,8-Dimethyl-7-oxo-1,2,3,4,5,6,8,8a-octahydronaphthalen-2-yl)propanoic acid?
The molecular formula of 2-(4a,8-Dimethyl-7-oxo-1,2,3,4,5,6,8,8a-octahydronaphthalen-2-yl)propanoic acid is C15H24O3.
What is the molecular weight of 2-(4a,8-Dimethyl-7-oxo-1,2,3,4,5,6,8,8a-octahydronaphthalen-2-yl)propanoic acid?
The molecular weight of 2-(4a,8-Dimethyl-7-oxo-1,2,3,4,5,6,8,8a-octahydronaphthalen-2-yl)propanoic acid is 252.17 g/mol.
Where can I buy 2-(4a,8-Dimethyl-7-oxo-1,2,3,4,5,6,8,8a-octahydronaphthalen-2-yl)propanoic acid?
You can request a quote for 2-(4a,8-Dimethyl-7-oxo-1,2,3,4,5,6,8,8a-octahydronaphthalen-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 2-(4a,8-Dimethyl-7-oxo-1,2,3,4,5,6,8,8a-octahydronaphthalen-2-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4a,8-Dimethyl-7-oxo-1,2,3,4,5,6,8,8a-octahydronaphthalen-2-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.