碳酸钡
TL;DR: 碳酸钡 (CAS 513-77-9) is a chemical compound with molecular formula CBaO3 and molecular weight 197.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碳酸钡
barium(2+) carbonate
Also Known As: BARIUM CARBONATE, Witherite, Bariumcarbonate, Barium monocarbonate, Baryta Carbonica
| Molecular Formula | CBaO3 |
|---|---|
| Molecular Weight | 197.89 g/mol |
| LogP | -2.83 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.88998 |
| Heavy Atoms | 5 |
| Complexity | 18.0 |
| Melting Point | ERG is for "Barium compound, n.o.s." Vapor pressure is negligible. 811 °C |
| Density | 4.3 at 20.0 °C |
| Solubility | In water, 0.0014 g/100 g at 20 °C |
| Vapor Pressure | Essentially zero |
| Refractive Index | Indices of refraction: 1.529, 1.676, 1.677 |
Chemical Identifiers
| CAS Number | 513-77-9 |
|---|---|
| SMILES | C(=O)([O-])[O-].[Ba+2] |
| InChIKey | AYJRCSIUFZENHW-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
碳酸钡 (CAS 513-77-9), with molecular formula CBaO3 and molecular weight 197.89 g/mol. IUPAC: barium(2+) carbonate.
Chemical Property Profile of 碳酸钡
Property Insights of 碳酸钡
The XLogP value of -2.83 indicates that 碳酸钡 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 碳酸钡. Following Lipinski's Rule of Five, 碳酸钡 has 0 hydrogen bond donor(s) and 3 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 碳酸钡?
The CAS number of 碳酸钡 is 513-77-9.
What is the molecular formula of 碳酸钡?
The molecular formula of 碳酸钡 is CBaO3.
What is the molecular weight of 碳酸钡?
The molecular weight of 碳酸钡 is 197.89 g/mol.
Where can I buy 碳酸钡?
You can request a quote for 碳酸钡 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 碳酸钡?
Yes, KEHONG BIO provides custom synthesis services for 碳酸钡 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.