Galle-Donau
TL;DR: Galle-Donau (CAS 8060-75-1) is a chemical compound with molecular formula C27H25NO4 and molecular weight 427.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)ethyl pyridine-3-carboxylate;2-naphthalen-1-ylacetic acid
Also Known As: Galle-donau, 1-NAPHTHALENEACETIC ACID, 3-Pyridinecarboxylic acid, 1-(4-methylphenyl)ethyl ester, mixt. with 1-naphthaleneacetic acid, 1-(4-methylphenyl)ethyl pyridine-3-carboxylate;2-naphthalen-1-ylacetic acid, (Naphthalen-1-yl)acetic acid--1-(4-methylphenyl)ethyl pyridine-3-carboxylate (1/1)
| Molecular Formula | C27H25NO4 |
|---|---|
| Molecular Weight | 427.18 g/mol |
| LogP | 5.77492 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.17834 |
| Heavy Atoms | 32 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 8060-75-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C)OC(=O)C2=CN=CC=C2.C1=CC=C2C(=C1)C=CC=C2CC(=O)O |
| InChIKey | LBHVOYUTVPQHNS-UHFFFAOYSA-N |
Product Overview
Galle-Donau (CAS 8060-75-1), with molecular formula C27H25NO4 and molecular weight 427.18 g/mol. IUPAC: 1-(4-methylphenyl)ethyl pyridine-3-carboxylate;2-naphthalen-1-ylacetic acid.
Chemical Property Profile of Galle-Donau
Property Insights of Galle-Donau
The XLogP value of 5.77492 indicates that Galle-Donau is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Galle-Donau. Following Lipinski's Rule of Five, Galle-Donau has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Galle-Donau?
The CAS number of Galle-Donau is 8060-75-1.
What is the molecular formula of Galle-Donau?
The molecular formula of Galle-Donau is C27H25NO4.
What is the molecular weight of Galle-Donau?
The molecular weight of Galle-Donau is 427.18 g/mol.
Where can I buy Galle-Donau?
You can request a quote for Galle-Donau directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Galle-Donau?
Yes, KEHONG BIO provides custom synthesis services for Galle-Donau and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.