C14H12BaN4O5
TL;DR: C14H12BaN4O5 (CAS 77254-84-3) is a chemical compound with molecular formula C14H12BaN4O5 and molecular weight 453.98602 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
barium(2+);1,3-dimethyl-7H-purine-2,6-dione;2-oxidobenzoate
Also Known As: Barium, (3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione-N7,O6)(2-hydroxybenzoato(2-)-O1,O2)-, (T-4)-, barium(2+); 1,3-dimethyl-7H-purine-2,6-dione; 2-oxidobenzoate, Barium 2-oxidobenzoate--1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (1/1/1)
Technical Specifications
| Molecular Formula | C14H12BaN4O5 |
| Molecular Weight | 453.98602 g/mol |
| XLogP | -2.2968 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 453.98602 Da |
| Heavy Atoms | 24 |
| Complexity | 395.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC=N2.C1=CC=C(C(=C1)C(=O)[O-])[O-].[Ba+2] |
| InChIKey | RBCVPEZJMMNNEZ-UHFFFAOYSA-L |
Product Description
Applications: C14H12BaN4O5 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies C14H12BaN4O5 (CAS 77254-84-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A fine chemical supplied by CoreyChem, C14H12BaN4O5 (CAS 77254-84-3) has the molecular formula C14H12BaN4O5 and a molecular weight of 453.99 g/mol. It is also known as Barium, (3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione-N7,O6)(2-hydroxybenzoato(2-)-O1,O2)-, (T-4)- and barium(2+).
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of C14H12BaN4O5
Property Insights of C14H12BaN4O5
The XLogP value of -2.2968 indicates that C14H12BaN4O5 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C14H12BaN4O5. Following Lipinski's Rule of Five, C14H12BaN4O5 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C14H12BaN4O5?
The CAS number of C14H12BaN4O5 is 77254-84-3.
What is the molecular formula of C14H12BaN4O5?
The molecular formula of C14H12BaN4O5 is C14H12BaN4O5.
What is the molecular weight of C14H12BaN4O5?
The molecular weight of C14H12BaN4O5 is 453.98602 g/mol.
What are the applications of C14H12BaN4O5?
C14H12BaN4O5 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies C14H12BaN4O5 (CAS 77254-84-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and...
Where can I buy C14H12BaN4O5?
You can request a quote for C14H12BaN4O5 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C14H12BaN4O5?
Yes, CoreyChem provides custom synthesis services for C14H12BaN4O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.