3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, calcium salt
TL;DR: 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, calcium salt (CAS 56770-95-7) is a chemical compound with molecular formula C14H14CaN8O4 and molecular weight 398.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(1,3-dimethyl-2-oxopurin-6-olate)
Also Known As: EINECS 260-374-8, calcium 1,3-dimethyl-2-oxopurin-6-olate, calcium,1,3-dimethyl-2-oxopurin-6-olate, 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, calcium salt, 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione,calciumsalt
| Molecular Formula | C14H14CaN8O4 |
|---|---|
| Molecular Weight | 398.08 g/mol |
| LogP | -2.9964 |
| Topological Polar Surface Area | 151.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 398.0764 |
| Heavy Atoms | 27 |
| Complexity | 1065.825 |
Chemical Identifiers
| CAS Number | 56770-95-7 |
|---|---|
| SMILES | CN1C(=C2C(=NC=N2)N(C1=O)C)[O-].CN1C(=C2C(=NC=N2)N(C1=O)C)[O-].[Ca+2] |
Product Overview
3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, calcium salt (CAS 56770-95-7), with molecular formula C14H14CaN8O4 and molecular weight 398.08 g/mol. IUPAC: calcium bis(1,3-dimethyl-2-oxopurin-6-olate).
Chemical Property Profile of 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, calcium salt
Property Insights of 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, calcium salt
The XLogP value of -2.9964 indicates that 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, calcium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 151.54 Ų indicates high polarity, suggesting 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, calcium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, calcium salt has 0 hydrogen bond donor(s) and 8 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 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, calcium salt?
The CAS number of 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, calcium salt is 56770-95-7.
What is the molecular formula of 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, calcium salt?
The molecular formula of 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, calcium salt is C14H14CaN8O4.
What is the molecular weight of 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, calcium salt?
The molecular weight of 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, calcium salt is 398.08 g/mol.
Where can I buy 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, calcium salt?
You can request a quote for 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, calcium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, calcium salt?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, calcium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.