Disodium 5-carboxylato-4-hexylcyclohex-2-ene-1-octanoate
TL;DR: Disodium 5-carboxylato-4-hexylcyclohex-2-ene-1-octanoate (CAS 60532-96-9) is a chemical compound with molecular formula C21H34Na2O4 and molecular weight 396.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;5-(7-carboxylatoheptyl)-2-hexylcyclohex-3-ene-1-carboxylate
Also Known As: C19-Alkyldicarboxylic acid, disodium salt, Disodium 5-carboxylato-4-hexylcyclohex-2-ene-1-octanoate, Disodium 5-carboxy-4-hexyl-2-cyclohexene-1-octanoate, Sodium 5-carboxy-4-hexylcyclohex-2-ene-1-octanoate, 2-cyclohexene-1-octanoic acid, 5-carboxy-4-hexyl-, disodiumsalt
| Molecular Formula | C21H34Na2O4 |
|---|---|
| Molecular Weight | 396.23 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 396.22525 |
| Heavy Atoms | 27 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 60532-96-9 |
|---|---|
| SMILES | CCCCCCC1C=CC(CC1C(=O)[O-])CCCCCCCC(=O)[O-].[Na+].[Na+] |
| InChIKey | UAQIGVSGAWVUTO-UHFFFAOYSA-L |
Product Overview
Disodium 5-carboxylato-4-hexylcyclohex-2-ene-1-octanoate (CAS 60532-96-9), with molecular formula C21H34Na2O4 and molecular weight 396.23 g/mol. IUPAC: disodium;5-(7-carboxylatoheptyl)-2-hexylcyclohex-3-ene-1-carboxylate.
Chemical Property Profile of Disodium 5-carboxylato-4-hexylcyclohex-2-ene-1-octanoate
Property Insights of Disodium 5-carboxylato-4-hexylcyclohex-2-ene-1-octanoate
The XLogP value of -3.0 indicates that Disodium 5-carboxylato-4-hexylcyclohex-2-ene-1-octanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Disodium 5-carboxylato-4-hexylcyclohex-2-ene-1-octanoate. Following Lipinski's Rule of Five, Disodium 5-carboxylato-4-hexylcyclohex-2-ene-1-octanoate has 0 hydrogen bond donor(s) and 4 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 Disodium 5-carboxylato-4-hexylcyclohex-2-ene-1-octanoate?
The CAS number of Disodium 5-carboxylato-4-hexylcyclohex-2-ene-1-octanoate is 60532-96-9.
What is the molecular formula of Disodium 5-carboxylato-4-hexylcyclohex-2-ene-1-octanoate?
The molecular formula of Disodium 5-carboxylato-4-hexylcyclohex-2-ene-1-octanoate is C21H34Na2O4.
What is the molecular weight of Disodium 5-carboxylato-4-hexylcyclohex-2-ene-1-octanoate?
The molecular weight of Disodium 5-carboxylato-4-hexylcyclohex-2-ene-1-octanoate is 396.23 g/mol.
Where can I buy Disodium 5-carboxylato-4-hexylcyclohex-2-ene-1-octanoate?
You can request a quote for Disodium 5-carboxylato-4-hexylcyclohex-2-ene-1-octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Disodium 5-carboxylato-4-hexylcyclohex-2-ene-1-octanoate?
Yes, KEHONG BIO provides custom synthesis services for Disodium 5-carboxylato-4-hexylcyclohex-2-ene-1-octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.