Calcium bis(2-iodylbenzoate)
TL;DR: Calcium bis(2-iodylbenzoate) (CAS 59643-77-5) is a chemical compound with molecular formula C14H8CaI2O8 and molecular weight 597.79 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(2-iodylbenzoate)
Also Known As: Calcium bis(2-iodylbenzoate), calcium 2-iodylbenzoate, calcium,2-iodylbenzoate, C7H5IO4.1/2Ca, C7-H5-I-O4.1/2Ca
| Molecular Formula | C14H8CaI2O8 |
|---|---|
| Molecular Weight | 597.79 g/mol |
| LogP | 0.45 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 597.79346 |
| Heavy Atoms | 25 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 59643-77-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)[O-])I(=O)=O.C1=CC=C(C(=C1)C(=O)[O-])I(=O)=O.[Ca+2] |
| InChIKey | JSEPNPHNEPGHEA-UHFFFAOYSA-L |
Product Overview
Calcium bis(2-iodylbenzoate) (CAS 59643-77-5), with molecular formula C14H8CaI2O8 and molecular weight 597.79 g/mol. IUPAC: calcium bis(2-iodylbenzoate).
Chemical Property Profile of Calcium bis(2-iodylbenzoate)
Property Insights of Calcium bis(2-iodylbenzoate)
The XLogP value of 0.45 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calcium bis(2-iodylbenzoate). The TPSA of 149.0 Ų indicates high polarity, suggesting Calcium bis(2-iodylbenzoate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calcium bis(2-iodylbenzoate) has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calcium bis(2-iodylbenzoate)?
The CAS number of Calcium bis(2-iodylbenzoate) is 59643-77-5.
What is the molecular formula of Calcium bis(2-iodylbenzoate)?
The molecular formula of Calcium bis(2-iodylbenzoate) is C14H8CaI2O8.
What is the molecular weight of Calcium bis(2-iodylbenzoate)?
The molecular weight of Calcium bis(2-iodylbenzoate) is 597.79 g/mol.
Where can I buy Calcium bis(2-iodylbenzoate)?
You can request a quote for Calcium bis(2-iodylbenzoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium bis(2-iodylbenzoate)?
Yes, KEHONG BIO provides custom synthesis services for Calcium bis(2-iodylbenzoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.