1-Benzylhypoxanthine
TL;DR: 1-Benzylhypoxanthine (CAS 7074-59-1) is a chemical compound with molecular formula C12H10N4O and molecular weight 226.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-7H-purin-6-one
Also Known As: 1-benzylhypoxanthine, 1-benzyl-7H-purin-6-one, Purine-6(1H)-one, 1-benzyl-, 1-Benzyl-1,7-dihydro-6H-purin-6-one
| Molecular Formula | C12H10N4O |
|---|---|
| Molecular Weight | 226.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.08546 |
| Heavy Atoms | 17 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 7074-59-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC3=C(C2=O)NC=N3 |
| InChIKey | SVDKHKDEPPBDQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzylhypoxanthine (CAS 7074-59-1), with molecular formula C12H10N4O and molecular weight 226.09 g/mol. IUPAC: 1-benzyl-7H-purin-6-one.
Chemical Property Profile of 1-Benzylhypoxanthine
Property Insights of 1-Benzylhypoxanthine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzylhypoxanthine. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzylhypoxanthine. Following Lipinski's Rule of Five, 1-Benzylhypoxanthine has 1 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 1-Benzylhypoxanthine?
The CAS number of 1-Benzylhypoxanthine is 7074-59-1.
What is the molecular formula of 1-Benzylhypoxanthine?
The molecular formula of 1-Benzylhypoxanthine is C12H10N4O.
What is the molecular weight of 1-Benzylhypoxanthine?
The molecular weight of 1-Benzylhypoxanthine is 226.09 g/mol.
Where can I buy 1-Benzylhypoxanthine?
You can request a quote for 1-Benzylhypoxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzylhypoxanthine?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzylhypoxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.