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(4-Pentylbicyclo[2.2.2]oct-1-yl)acetic acid
TL;DR: (4-Pentylbicyclo[2.2.2]oct-1-yl)acetic acid (CAS 125533-08-6) is a chemical compound with molecular formula C15H26O2 and molecular weight 238.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-pentyl-1-bicyclo[2.2.2]octanyl)acetic acid
Also Known As: (4-pentylbicyclo[2.2.2]oct-1-yl)acetic acid, 2-(4-Pentylbicyclo[2.2.2]octan-1-yl)acetic acid, 2-(1-pentyl-4-bicyclo[2.2.2]octanyl)acetic acid, AA-516/30012046, 2-(4-pentyl-1-bicyclo[2.2.2]octanyl)acetic acid
| Molecular Formula | C15H26O2 |
|---|---|
| Molecular Weight | 238.19 g/mol |
| LogP | 4.382 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 238.19328 |
| Heavy Atoms | 17 |
| Complexity | 258.1171 |
Chemical Identifiers
| CAS Number | 125533-08-6 |
|---|---|
| SMILES | CCCCCC12CCC(CC1)(CC2)CC(=O)O |
Product Overview
(4-Pentylbicyclo[2.2.2]oct-1-yl)acetic acid (CAS 125533-08-6), with molecular formula C15H26O2 and molecular weight 238.19 g/mol. IUPAC: 2-(4-pentyl-1-bicyclo[2.2.2]octanyl)acetic acid.
Chemical Property Profile of (4-Pentylbicyclo[2.2.2]oct-1-yl)acetic acid
Property Insights of (4-Pentylbicyclo[2.2.2]oct-1-yl)acetic acid
The XLogP value of 4.382 indicates that (4-Pentylbicyclo[2.2.2]oct-1-yl)acetic 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-Pentylbicyclo[2.2.2]oct-1-yl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Pentylbicyclo[2.2.2]oct-1-yl)acetic acid has 1 hydrogen bond donor(s) and 1 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-Pentylbicyclo[2.2.2]oct-1-yl)acetic acid?
The CAS number of (4-Pentylbicyclo[2.2.2]oct-1-yl)acetic acid is 125533-08-6.
What is the molecular formula of (4-Pentylbicyclo[2.2.2]oct-1-yl)acetic acid?
The molecular formula of (4-Pentylbicyclo[2.2.2]oct-1-yl)acetic acid is C15H26O2.
What is the molecular weight of (4-Pentylbicyclo[2.2.2]oct-1-yl)acetic acid?
The molecular weight of (4-Pentylbicyclo[2.2.2]oct-1-yl)acetic acid is 238.19 g/mol.
Where can I buy (4-Pentylbicyclo[2.2.2]oct-1-yl)acetic acid?
You can request a quote for (4-Pentylbicyclo[2.2.2]oct-1-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Pentylbicyclo[2.2.2]oct-1-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-Pentylbicyclo[2.2.2]oct-1-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.