1H-Purine-2,6,8(3H)-trione, 7,9-dihydrobis(hydroxymethyl)-
TL;DR: 1H-Purine-2,6,8(3H)-trione, 7,9-dihydrobis(hydroxymethyl)- (CAS 71042-81-4) is a chemical compound with molecular formula C7H8N4O5 and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-bis(hydroxymethyl)-9H-purine-2,6,8-trione
Also Known As: 1H-Purine-2,6,8(3H)-trione, 7,9-dihydrobis(hydroxymethyl)-, Di(hydroxymethyl)-7,9-dihydro-1H-purine-2,6,8(3H)-trione, 3,7-bis(hydroxymethyl)-9H-purine-2,6,8-trione, 3,7-bis(hydroxymethyl)-7,9-dihydro-1h-purine-2,6,8(3h)-trione, RefChem:438871
| Molecular Formula | C7H8N4O5 |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.04947 |
| Heavy Atoms | 16 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 71042-81-4 |
|---|---|
| SMILES | C(N1C2=C(NC1=O)N(C(=O)NC2=O)CO)O |
| InChIKey | OPMOYNKJXUFMPB-UHFFFAOYSA-N |
Product Overview
1H-Purine-2,6,8(3H)-trione, 7,9-dihydrobis(hydroxymethyl)- (CAS 71042-81-4), with molecular formula C7H8N4O5 and molecular weight 228.05 g/mol. IUPAC: 3,7-bis(hydroxymethyl)-9H-purine-2,6,8-trione.
Chemical Property Profile of 1H-Purine-2,6,8(3H)-trione, 7,9-dihydrobis(hydroxymethyl)-
Property Insights of 1H-Purine-2,6,8(3H)-trione, 7,9-dihydrobis(hydroxymethyl)-
The XLogP value of -1.4 indicates that 1H-Purine-2,6,8(3H)-trione, 7,9-dihydrobis(hydroxymethyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Purine-2,6,8(3H)-trione, 7,9-dihydrobis(hydroxymethyl)-. Following Lipinski's Rule of Five, 1H-Purine-2,6,8(3H)-trione, 7,9-dihydrobis(hydroxymethyl)- has 4 hydrogen bond donor(s) and 5 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 1H-Purine-2,6,8(3H)-trione, 7,9-dihydrobis(hydroxymethyl)-?
The CAS number of 1H-Purine-2,6,8(3H)-trione, 7,9-dihydrobis(hydroxymethyl)- is 71042-81-4.
What is the molecular formula of 1H-Purine-2,6,8(3H)-trione, 7,9-dihydrobis(hydroxymethyl)-?
The molecular formula of 1H-Purine-2,6,8(3H)-trione, 7,9-dihydrobis(hydroxymethyl)- is C7H8N4O5.
What is the molecular weight of 1H-Purine-2,6,8(3H)-trione, 7,9-dihydrobis(hydroxymethyl)-?
The molecular weight of 1H-Purine-2,6,8(3H)-trione, 7,9-dihydrobis(hydroxymethyl)- is 228.05 g/mol.
Where can I buy 1H-Purine-2,6,8(3H)-trione, 7,9-dihydrobis(hydroxymethyl)-?
You can request a quote for 1H-Purine-2,6,8(3H)-trione, 7,9-dihydrobis(hydroxymethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Purine-2,6,8(3H)-trione, 7,9-dihydrobis(hydroxymethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Purine-2,6,8(3H)-trione, 7,9-dihydrobis(hydroxymethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.