O6-Allylguanine
TL;DR: O6-Allylguanine (CAS 50663-54-2) is a chemical compound with molecular formula C8H9N5O and molecular weight 191.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-prop-2-enoxy-7H-purin-2-amine
Also Known As: O6-Allylguanine, 6-Allyloxy-9H-purin-2-ylamine, O6-Substituted Guanine Deriv. 15, 6-prop-2-enoxy-7H-purin-2-amine, 6-(Allyloxy)-9H-purine-2-amine
| Molecular Formula | C8H9N5O |
|---|---|
| Molecular Weight | 191.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 89.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 191.0807 |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 50663-54-2 |
|---|---|
| SMILES | C=CCOC1=NC(=NC2=C1NC=N2)N |
| InChIKey | HJMGFQNIHIHSCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O6-Allylguanine (CAS 50663-54-2), with molecular formula C8H9N5O and molecular weight 191.08 g/mol. IUPAC: 6-prop-2-enoxy-7H-purin-2-amine.
Chemical Property Profile of O6-Allylguanine
Property Insights of O6-Allylguanine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O6-Allylguanine. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for O6-Allylguanine. Following Lipinski's Rule of Five, O6-Allylguanine has 2 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-Allylguanine?
The CAS number of O6-Allylguanine is 50663-54-2.
What is the molecular formula of O6-Allylguanine?
The molecular formula of O6-Allylguanine is C8H9N5O.
What is the molecular weight of O6-Allylguanine?
The molecular weight of O6-Allylguanine is 191.08 g/mol.
Where can I buy O6-Allylguanine?
You can request a quote for O6-Allylguanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O6-Allylguanine?
Yes, KEHONG BIO provides custom synthesis services for O6-Allylguanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.