邻苯二甲酸钡盐(1:1)
TL;DR: 邻苯二甲酸钡盐(1:1) (CAS 15656-86-7) is a chemical compound with molecular formula C8H4BaO4 and molecular weight 301.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻苯二甲酸钡盐(1:1)
barium(2+);phthalate
Also Known As: Barium phthalate, barium(2+);phthalate, Barium phthalate (1:1), barium(2+); phthalate, Phthalic acid barium salt
| Molecular Formula | C8H4BaO4 |
|---|---|
| Molecular Weight | 301.92 g/mol |
| LogP | -1.97 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 301.9162 |
| Heavy Atoms | 13 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 15656-86-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].[Ba+2] |
| InChIKey | MTZOKGSUOABQEO-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻苯二甲酸钡盐(1:1) (CAS 15656-86-7), with molecular formula C8H4BaO4 and molecular weight 301.92 g/mol. IUPAC: barium(2+);phthalate.
Chemical Property Profile of 邻苯二甲酸钡盐(1:1)
Property Insights of 邻苯二甲酸钡盐(1:1)
The XLogP value of -1.97 indicates that 邻苯二甲酸钡盐(1:1) 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 邻苯二甲酸钡盐(1:1). Following Lipinski's Rule of Five, 邻苯二甲酸钡盐(1:1) 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 邻苯二甲酸钡盐(1:1)?
The CAS number of 邻苯二甲酸钡盐(1:1) is 15656-86-7.
What is the molecular formula of 邻苯二甲酸钡盐(1:1)?
The molecular formula of 邻苯二甲酸钡盐(1:1) is C8H4BaO4.
What is the molecular weight of 邻苯二甲酸钡盐(1:1)?
The molecular weight of 邻苯二甲酸钡盐(1:1) is 301.92 g/mol.
Where can I buy 邻苯二甲酸钡盐(1:1)?
You can request a quote for 邻苯二甲酸钡盐(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻苯二甲酸钡盐(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 邻苯二甲酸钡盐(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.