O6-benzyl-2-fluorohypoxanthine
TL;DR: O6-benzyl-2-fluorohypoxanthine (CAS 19916-74-6) is a chemical compound with molecular formula C12H9FN4O and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-6-phenylmethoxy-7H-purine
Also Known As: O6-benzyl-2-fluorohypoxanthine, Purine, 6-benzyloxy-2-fluoro-, 6-(benzyloxy)-2-fluoro-7h-purine, O6 -Benzyl-2-fluorohypoxanthine, 2-Fluoro-6-benzyloxy-9H-purine
| Molecular Formula | C12H9FN4O |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.07603 |
| Heavy Atoms | 18 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 19916-74-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=NC(=NC3=C2NC=N3)F |
| InChIKey | LBDUBRVDQRTAPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O6-benzyl-2-fluorohypoxanthine (CAS 19916-74-6), with molecular formula C12H9FN4O and molecular weight 244.08 g/mol. IUPAC: 2-fluoro-6-phenylmethoxy-7H-purine.
Chemical Property Profile of O6-benzyl-2-fluorohypoxanthine
Property Insights of O6-benzyl-2-fluorohypoxanthine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O6-benzyl-2-fluorohypoxanthine. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for O6-benzyl-2-fluorohypoxanthine. Following Lipinski's Rule of Five, O6-benzyl-2-fluorohypoxanthine has 1 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 O6-benzyl-2-fluorohypoxanthine?
The CAS number of O6-benzyl-2-fluorohypoxanthine is 19916-74-6.
What is the molecular formula of O6-benzyl-2-fluorohypoxanthine?
The molecular formula of O6-benzyl-2-fluorohypoxanthine is C12H9FN4O.
What is the molecular weight of O6-benzyl-2-fluorohypoxanthine?
The molecular weight of O6-benzyl-2-fluorohypoxanthine is 244.08 g/mol.
Where can I buy O6-benzyl-2-fluorohypoxanthine?
You can request a quote for O6-benzyl-2-fluorohypoxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O6-benzyl-2-fluorohypoxanthine?
Yes, KEHONG BIO provides custom synthesis services for O6-benzyl-2-fluorohypoxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.