homofuraneol
TL;DR: homofuraneol (CAS 26639-29-2) is a chemical compound with molecular formula C37H49NO6 and molecular weight 603.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(1-hydroxynaphthalene-2-carbonyl)-octadecylamino]benzene-1,3-dicarboxylic acid
Also Known As: homofuraneol, LABOTEST-BB LT00453420, (6-Chloro-pyrimidin-4-yl)-ethyl-amine, 5-[[(1-Hydroxy-2-naphthyl)carbonyl]octadecylamino]phthalic acid, 5-[(1-hydroxynaphthalene-2-carbonyl)-octadecylamino]benzene-1,3-dicarboxylic acid
| Molecular Formula | C37H49NO6 |
|---|---|
| Molecular Weight | 603.36 g/mol |
| LogP | 12.3 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 21 |
| Exact Mass | 603.356 |
| Heavy Atoms | 44 |
| Complexity | 826.0 |
Chemical Identifiers
| CAS Number | 26639-29-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCN(C1=CC(=CC(=C1)C(=O)O)C(=O)O)C(=O)C2=C(C3=CC=CC=C3C=C2)O |
| InChIKey | OBCOPYLXZAHBGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
homofuraneol (CAS 26639-29-2), with molecular formula C37H49NO6 and molecular weight 603.36 g/mol. IUPAC: 5-[(1-hydroxynaphthalene-2-carbonyl)-octadecylamino]benzene-1,3-dicarboxylic acid.
Chemical Property Profile of homofuraneol
Property Insights of homofuraneol
The XLogP value of 12.3 indicates that homofuraneol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for homofuraneol. Following Lipinski's Rule of Five, homofuraneol has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of homofuraneol?
The CAS number of homofuraneol is 26639-29-2.
What is the molecular formula of homofuraneol?
The molecular formula of homofuraneol is C37H49NO6.
What is the molecular weight of homofuraneol?
The molecular weight of homofuraneol is 603.36 g/mol.
Where can I buy homofuraneol?
You can request a quote for homofuraneol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for homofuraneol?
Yes, KEHONG BIO provides custom synthesis services for homofuraneol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.