Disodium;4-(3,7-dimethyloctylidene)-3-methylpent-2-enedioate
TL;DR: Disodium;4-(3,7-dimethyloctylidene)-3-methylpent-2-enedioate (CAS 68516-33-6) is a chemical compound with molecular formula C16H24Na2O4 and molecular weight 326.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-(3,7-dimethyloctylidene)-3-methylpent-2-enedioate
Also Known As: 2-Pentenedioic acid, 4-(3,7-dimethyloctylidene)-3-methyl-, disodium salt, (2Z,4E)-, 2-Pentenedioic acid, 4-(3,7-dimethyloctylidene)-3-methyl-, disodium salt, (Z,E)-(.+.)-, 2-Pentenedioic acid, 4-(3,7-dimethyloctylidene)-3-methyl-, disodiumsalt, (2Z,4E)-, 2-Pentenedioic acid, 4-(3,7-dimethyloctylidene)-3-methyl-, disodiumsalt, (Z,E)-, 2-Pentenedioic acid, 4-(3,7-dimethyloctylidene)-3-methyl-, sodium salt (1:2), (2Z,4E)-
| Molecular Formula | C16H24Na2O4 |
|---|---|
| Molecular Weight | 326.15 g/mol |
| LogP | -4.78 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 326.147 |
| Heavy Atoms | 22 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 68516-33-6 |
|---|---|
| SMILES | CC(C)CCCC(C)CC=C(C(=CC(=O)[O-])C)C(=O)[O-].[Na+].[Na+] |
| InChIKey | IVSXGLGETOEVMY-UHFFFAOYSA-L |
Product Overview
Disodium;4-(3,7-dimethyloctylidene)-3-methylpent-2-enedioate (CAS 68516-33-6), with molecular formula C16H24Na2O4 and molecular weight 326.15 g/mol. IUPAC: disodium;4-(3,7-dimethyloctylidene)-3-methylpent-2-enedioate.
Chemical Property Profile of Disodium;4-(3,7-dimethyloctylidene)-3-methylpent-2-enedioate
Property Insights of Disodium;4-(3,7-dimethyloctylidene)-3-methylpent-2-enedioate
The XLogP value of -4.78 indicates that Disodium;4-(3,7-dimethyloctylidene)-3-methylpent-2-enedioate 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;4-(3,7-dimethyloctylidene)-3-methylpent-2-enedioate. Following Lipinski's Rule of Five, Disodium;4-(3,7-dimethyloctylidene)-3-methylpent-2-enedioate 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;4-(3,7-dimethyloctylidene)-3-methylpent-2-enedioate?
The CAS number of Disodium;4-(3,7-dimethyloctylidene)-3-methylpent-2-enedioate is 68516-33-6.
What is the molecular formula of Disodium;4-(3,7-dimethyloctylidene)-3-methylpent-2-enedioate?
The molecular formula of Disodium;4-(3,7-dimethyloctylidene)-3-methylpent-2-enedioate is C16H24Na2O4.
What is the molecular weight of Disodium;4-(3,7-dimethyloctylidene)-3-methylpent-2-enedioate?
The molecular weight of Disodium;4-(3,7-dimethyloctylidene)-3-methylpent-2-enedioate is 326.15 g/mol.
Where can I buy Disodium;4-(3,7-dimethyloctylidene)-3-methylpent-2-enedioate?
You can request a quote for Disodium;4-(3,7-dimethyloctylidene)-3-methylpent-2-enedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Disodium;4-(3,7-dimethyloctylidene)-3-methylpent-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for Disodium;4-(3,7-dimethyloctylidene)-3-methylpent-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.