C14H12BaN4O5
TL;DR: C14H12BaN4O5 (CAS 77254-84-3) is a chemical compound with molecular formula C14H12BaN4O5 and molecular weight 453.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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)
| Molecular Formula | C14H12BaN4O5 |
|---|---|
| Molecular Weight | 453.99 g/mol |
| LogP | -2.2968 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 453.98602 |
| Heavy Atoms | 24 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 77254-84-3 |
|---|---|
| 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 Overview
C14H12BaN4O5 (CAS 77254-84-3), with molecular formula C14H12BaN4O5 and molecular weight 453.99 g/mol. IUPAC: barium(2+);1,3-dimethyl-7H-purine-2,6-dione;2-oxidobenzoate.
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
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 453.99 g/mol.
Where can I buy C14H12BaN4O5?
You can request a quote for C14H12BaN4O5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H12BaN4O5?
Yes, KEHONG BIO provides custom synthesis services for C14H12BaN4O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.