3H-purin-2-olate, 6,7-dihydro-3,7-dimethyl-6-oxo-, calcium salt (1:1)
TL;DR: 3H-purin-2-olate, 6,7-dihydro-3,7-dimethyl-6-oxo-, calcium salt (1:1) (CAS 16484-85-8) is a chemical compound with molecular formula C7H7CaN4O2+ and molecular weight 219.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium 3,7-dimethyl-2-oxopurin-6-olate
Also Known As: calcium 3,7-dimethyl-6-oxopurin-2-olate, THEOBROMINE CALCIUM SALICYLATE, 3H-purin-2-olate, 6,7-dihydro-3,7-dimethyl-6-oxo-, calcium salt (1:1)
| Molecular Formula | C7H7CaN4O2+ |
|---|---|
| Molecular Weight | 219.02 g/mol |
| LogP | -1.64 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 219.01949 |
| Heavy Atoms | 14 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 16484-85-8 |
|---|---|
| SMILES | CN1C=NC2=C1C(=NC(=O)N2C)[O-].[Ca+2] |
| InChIKey | OXXSBBRVUIKPMA-UHFFFAOYSA-M |
Product Overview
3H-purin-2-olate, 6,7-dihydro-3,7-dimethyl-6-oxo-, calcium salt (1:1) (CAS 16484-85-8), with molecular formula C7H7CaN4O2+ and molecular weight 219.02 g/mol. IUPAC: calcium 3,7-dimethyl-2-oxopurin-6-olate.
Chemical Property Profile of 3H-purin-2-olate, 6,7-dihydro-3,7-dimethyl-6-oxo-, calcium salt (1:1)
Property Insights of 3H-purin-2-olate, 6,7-dihydro-3,7-dimethyl-6-oxo-, calcium salt (1:1)
The XLogP value of -1.64 indicates that 3H-purin-2-olate, 6,7-dihydro-3,7-dimethyl-6-oxo-, calcium salt (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-purin-2-olate, 6,7-dihydro-3,7-dimethyl-6-oxo-, calcium salt (1:1). Following Lipinski's Rule of Five, 3H-purin-2-olate, 6,7-dihydro-3,7-dimethyl-6-oxo-, calcium salt (1:1) 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 3H-purin-2-olate, 6,7-dihydro-3,7-dimethyl-6-oxo-, calcium salt (1:1)?
The CAS number of 3H-purin-2-olate, 6,7-dihydro-3,7-dimethyl-6-oxo-, calcium salt (1:1) is 16484-85-8.
What is the molecular formula of 3H-purin-2-olate, 6,7-dihydro-3,7-dimethyl-6-oxo-, calcium salt (1:1)?
The molecular formula of 3H-purin-2-olate, 6,7-dihydro-3,7-dimethyl-6-oxo-, calcium salt (1:1) is C7H7CaN4O2+.
What is the molecular weight of 3H-purin-2-olate, 6,7-dihydro-3,7-dimethyl-6-oxo-, calcium salt (1:1)?
The molecular weight of 3H-purin-2-olate, 6,7-dihydro-3,7-dimethyl-6-oxo-, calcium salt (1:1) is 219.02 g/mol.
Where can I buy 3H-purin-2-olate, 6,7-dihydro-3,7-dimethyl-6-oxo-, calcium salt (1:1)?
You can request a quote for 3H-purin-2-olate, 6,7-dihydro-3,7-dimethyl-6-oxo-, calcium salt (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-purin-2-olate, 6,7-dihydro-3,7-dimethyl-6-oxo-, calcium salt (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 3H-purin-2-olate, 6,7-dihydro-3,7-dimethyl-6-oxo-, calcium salt (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.