Isotrac
TL;DR: Isotrac (CAS 23710-76-1) is a chemical compound with molecular formula C28H26CaO6 and molecular weight 498.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(2-(3-methylbutanoyl)-3-oxoinden-1-olate)
Also Known As: Isotrac, Isovalelyl, valone calcium, Valone, calcium salt, Caswell No. 515A
| Molecular Formula | C28H26CaO6 |
|---|---|
| Molecular Weight | 498.14 g/mol |
| LogP | 2.76 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 498.13553 |
| Heavy Atoms | 35 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 23710-76-1 |
|---|---|
| SMILES | CC(C)CC(=O)C1=C(C2=CC=CC=C2C1=O)[O-].CC(C)CC(=O)C1=C(C2=CC=CC=C2C1=O)[O-].[Ca+2] |
| InChIKey | QPYPHJWZWLGYRR-UHFFFAOYSA-L |
Product Overview
Isotrac (CAS 23710-76-1), with molecular formula C28H26CaO6 and molecular weight 498.14 g/mol. IUPAC: calcium bis(2-(3-methylbutanoyl)-3-oxoinden-1-olate).
Chemical Property Profile of Isotrac
Property Insights of Isotrac
The XLogP value of 2.76 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isotrac. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isotrac. Following Lipinski's Rule of Five, Isotrac has 0 hydrogen bond donor(s) and 6 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 Isotrac?
The CAS number of Isotrac is 23710-76-1.
What is the molecular formula of Isotrac?
The molecular formula of Isotrac is C28H26CaO6.
What is the molecular weight of Isotrac?
The molecular weight of Isotrac is 498.14 g/mol.
Where can I buy Isotrac?
You can request a quote for Isotrac directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isotrac?
Yes, KEHONG BIO provides custom synthesis services for Isotrac and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.