Disodium;2-oct-7-enylbutanedioate
TL;DR: Disodium;2-oct-7-enylbutanedioate (CAS 55579-01-6) is a chemical compound with molecular formula C12H18Na2O4 and molecular weight 272.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-oct-7-enylbutanedioate
Also Known As: Disodium octenylsuccinate, disodium 2-oct-7-enylbutanedioate, disodium 2-(oct-7-en-1-yl)butanedioate, Butanedioic acid, octenyl-, disodium salt, Butanedioic acid, 2-(octen-1-yl)-, sodium salt (1:2)
| Molecular Formula | C12H18Na2O4 |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | -5.97 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 272.10004 |
| Heavy Atoms | 18 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 55579-01-6 |
|---|---|
| SMILES | C=CCCCCCCC(CC(=O)[O-])C(=O)[O-].[Na+].[Na+] |
| InChIKey | IXHHWVNZLOTGCW-UHFFFAOYSA-L |
Product Overview
Disodium;2-oct-7-enylbutanedioate (CAS 55579-01-6), with molecular formula C12H18Na2O4 and molecular weight 272.10 g/mol. IUPAC: disodium;2-oct-7-enylbutanedioate.
Chemical Property Profile of Disodium;2-oct-7-enylbutanedioate
Property Insights of Disodium;2-oct-7-enylbutanedioate
The XLogP value of -5.97 indicates that Disodium;2-oct-7-enylbutanedioate 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;2-oct-7-enylbutanedioate. Following Lipinski's Rule of Five, Disodium;2-oct-7-enylbutanedioate 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;2-oct-7-enylbutanedioate?
The CAS number of Disodium;2-oct-7-enylbutanedioate is 55579-01-6.
What is the molecular formula of Disodium;2-oct-7-enylbutanedioate?
The molecular formula of Disodium;2-oct-7-enylbutanedioate is C12H18Na2O4.
What is the molecular weight of Disodium;2-oct-7-enylbutanedioate?
The molecular weight of Disodium;2-oct-7-enylbutanedioate is 272.10 g/mol.
Where can I buy Disodium;2-oct-7-enylbutanedioate?
You can request a quote for Disodium;2-oct-7-enylbutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Disodium;2-oct-7-enylbutanedioate?
Yes, KEHONG BIO provides custom synthesis services for Disodium;2-oct-7-enylbutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.