4-(Decahydronaphthalen-2-yl)butanoic acid
TL;DR: 4-(Decahydronaphthalen-2-yl)butanoic acid (CAS 87117-46-2) is a chemical compound with molecular formula C14H24O2 and molecular weight 224.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butanoic acid
Also Known As: 4-(Decahydronaphthalen-2-yl)butanoic acid, (+-)-4-((4arH.8atH)-decahydro-naphthyl-(2xi))-butyric acid, 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butanoic acid
| Molecular Formula | C14H24O2 |
|---|---|
| Molecular Weight | 224.18 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.17763 |
| Heavy Atoms | 16 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 87117-46-2 |
|---|---|
| SMILES | C1CCC2CC(CCC2C1)CCCC(=O)O |
| InChIKey | CFROPYFFUMSEEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Decahydronaphthalen-2-yl)butanoic acid (CAS 87117-46-2), with molecular formula C14H24O2 and molecular weight 224.18 g/mol. IUPAC: 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butanoic acid.
Chemical Property Profile of 4-(Decahydronaphthalen-2-yl)butanoic acid
Property Insights of 4-(Decahydronaphthalen-2-yl)butanoic acid
The XLogP value of 4.7 indicates that 4-(Decahydronaphthalen-2-yl)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4-(Decahydronaphthalen-2-yl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Decahydronaphthalen-2-yl)butanoic acid has 1 hydrogen bond donor(s) and 2 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 4-(Decahydronaphthalen-2-yl)butanoic acid?
The CAS number of 4-(Decahydronaphthalen-2-yl)butanoic acid is 87117-46-2.
What is the molecular formula of 4-(Decahydronaphthalen-2-yl)butanoic acid?
The molecular formula of 4-(Decahydronaphthalen-2-yl)butanoic acid is C14H24O2.
What is the molecular weight of 4-(Decahydronaphthalen-2-yl)butanoic acid?
The molecular weight of 4-(Decahydronaphthalen-2-yl)butanoic acid is 224.18 g/mol.
Where can I buy 4-(Decahydronaphthalen-2-yl)butanoic acid?
You can request a quote for 4-(Decahydronaphthalen-2-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Decahydronaphthalen-2-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Decahydronaphthalen-2-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.