苯甲酸钙
TL;DR: 苯甲酸钙 (CAS 2090-05-3) is a chemical compound with molecular formula C14H10CaO4 and molecular weight 282.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯甲酸钙
calcium dibenzoate
Also Known As: Calcium benzoate, Calcium dibenzoate, calcium;dibenzoate, Calciumbenzoate, calcium salt
| Molecular Formula | C14H10CaO4 |
|---|---|
| Molecular Weight | 282.02 g/mol |
| LogP | -0.28 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 282.0205 |
| Heavy Atoms | 19 |
| Complexity | 98.0 |
| Melting Point | for benzoic acidMelting range of benzoic acid isolated by acidification and not recrystallised 121,5 °C to 123,5 °C, after vacuum drying in a sulphuric acid desiccator |
Chemical Identifiers
| CAS Number | 2090-05-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Ca+2] |
| InChIKey | NSQPPSOSXWOZNH-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯甲酸钙 (CAS 2090-05-3), with molecular formula C14H10CaO4 and molecular weight 282.02 g/mol. IUPAC: calcium dibenzoate.
Chemical Property Profile of 苯甲酸钙
Property Insights of 苯甲酸钙
The XLogP value of -0.28 indicates that 苯甲酸钙 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 苯甲酸钙. Following Lipinski's Rule of Five, 苯甲酸钙 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 苯甲酸钙?
The CAS number of 苯甲酸钙 is 2090-05-3.
What is the molecular formula of 苯甲酸钙?
The molecular formula of 苯甲酸钙 is C14H10CaO4.
What is the molecular weight of 苯甲酸钙?
The molecular weight of 苯甲酸钙 is 282.02 g/mol.
Where can I buy 苯甲酸钙?
You can request a quote for 苯甲酸钙 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯甲酸钙?
Yes, KEHONG BIO provides custom synthesis services for 苯甲酸钙 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.