Einecs 269-766-3
TL;DR: Einecs 269-766-3 (CAS 68324-22-1) is a chemical compound with molecular formula C25H47NO6 and molecular weight 457.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(7-carboxyheptyl)-2-hexylcyclohex-3-ene-1-carboxylic acid;2-(2-hydroxyethylamino)ethanol
Also Known As: Cyclohexene compd., 2-Cyclohexene-1-octanoic acid, 5-carboxy-4-hexyl-, compd. with 2,2'-iminobis(ethanol) (1:1), 3-Hexyl-4-carboxy-6-(8-octanoic) cyclohexene-1-2, with diethanolamine, 5(Or 6)-carboxy-4-hexylcyclohex-2-ene-1-octanoic acid, compound with 2,2'-iminodiethanol (1:1), 5-(7-carboxyheptyl)-2-hexylcyclohex-3-ene-1-carboxylic acid- 2,2'-iminodiethanol(1:1)
| Molecular Formula | C25H47NO6 |
|---|---|
| Molecular Weight | 457.34 g/mol |
| LogP | 4.23 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 18 |
| Exact Mass | 457.34033 |
| Heavy Atoms | 32 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 68324-22-1 |
|---|---|
| SMILES | CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCC(=O)O.C(CO)NCCO |
| InChIKey | DCDKFIZYBRYJPR-UHFFFAOYSA-N |
Product Overview
Einecs 269-766-3 (CAS 68324-22-1), with molecular formula C25H47NO6 and molecular weight 457.34 g/mol. IUPAC: 5-(7-carboxyheptyl)-2-hexylcyclohex-3-ene-1-carboxylic acid;2-(2-hydroxyethylamino)ethanol.
Chemical Property Profile of Einecs 269-766-3
Property Insights of Einecs 269-766-3
The XLogP value of 4.23 indicates that Einecs 269-766-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 269-766-3. Following Lipinski's Rule of Five, Einecs 269-766-3 has 5 hydrogen bond donor(s) and 7 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 Einecs 269-766-3?
The CAS number of Einecs 269-766-3 is 68324-22-1.
What is the molecular formula of Einecs 269-766-3?
The molecular formula of Einecs 269-766-3 is C25H47NO6.
What is the molecular weight of Einecs 269-766-3?
The molecular weight of Einecs 269-766-3 is 457.34 g/mol.
Where can I buy Einecs 269-766-3?
You can request a quote for Einecs 269-766-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 269-766-3?
Yes, KEHONG BIO provides custom synthesis services for Einecs 269-766-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.