9-Benzhydryladenine 1-oxide
TL;DR: 9-Benzhydryladenine 1-oxide (CAS 122365-35-9) is a chemical compound with molecular formula C18H15N5O and molecular weight 317.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzhydryl-1-hydroxypurin-6-imine
Also Known As: 9-Benzhydryladenine 1-oxide, 9-Benzhydryladenine-1-N-oxide, 9-benzhydryl-1-hydroxypurin-6-imine, 9-BENZHYDRYL-1-HYDROXY-PURIN-6-IMINE, 9H-Purin-6-amine,9-(diphenylmethyl)-, 1-oxide
| Molecular Formula | C18H15N5O |
|---|---|
| Molecular Weight | 317.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.12766 |
| Heavy Atoms | 24 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 122365-35-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C=NC4=C3N=CN(C4=N)O |
| InChIKey | KGXVSELUQPYRLW-UHFFFAOYSA-N |
Product Overview
9-Benzhydryladenine 1-oxide (CAS 122365-35-9), with molecular formula C18H15N5O and molecular weight 317.13 g/mol. IUPAC: 9-benzhydryl-1-hydroxypurin-6-imine.
Chemical Property Profile of 9-Benzhydryladenine 1-oxide
Property Insights of 9-Benzhydryladenine 1-oxide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Benzhydryladenine 1-oxide. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Benzhydryladenine 1-oxide. Following Lipinski's Rule of Five, 9-Benzhydryladenine 1-oxide has 2 hydrogen bond donor(s) and 4 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 9-Benzhydryladenine 1-oxide?
The CAS number of 9-Benzhydryladenine 1-oxide is 122365-35-9.
What is the molecular formula of 9-Benzhydryladenine 1-oxide?
The molecular formula of 9-Benzhydryladenine 1-oxide is C18H15N5O.
What is the molecular weight of 9-Benzhydryladenine 1-oxide?
The molecular weight of 9-Benzhydryladenine 1-oxide is 317.13 g/mol.
Where can I buy 9-Benzhydryladenine 1-oxide?
You can request a quote for 9-Benzhydryladenine 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Benzhydryladenine 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 9-Benzhydryladenine 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.