9-Benzyl-2-butoxy-8-hydroxyadenine
TL;DR: 9-Benzyl-2-butoxy-8-hydroxyadenine (CAS 226906-84-9) is a chemical compound with molecular formula C16H19N5O2 and molecular weight 313.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-9-benzyl-2-butoxy-7H-purin-8-one
Also Known As: SA-2 hydroxyadenine, 9-benzyl-2-butoxy-8-oxoadenine, 9-benzyl-2-butoxy-8-hydroxyadenine, US10457681, Compound B, 6-amino-9-benzyl-2-butoxy-7H-purin-8(9H)-one
| Molecular Formula | C16H19N5O2 |
|---|---|
| Molecular Weight | 313.15 g/mol |
| LogP | 1.929 |
| Topological Polar Surface Area | 98.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.15387 |
| Heavy Atoms | 23 |
| Complexity | 854.02826 |
Chemical Identifiers
| CAS Number | 226906-84-9 |
|---|---|
| SMILES | CCCCOC1=NC(=C2C(=N1)N(C(=O)N2)CC3=CC=CC=C3)N |
Product Overview
9-Benzyl-2-butoxy-8-hydroxyadenine (CAS 226906-84-9), with molecular formula C16H19N5O2 and molecular weight 313.15 g/mol. IUPAC: 6-amino-9-benzyl-2-butoxy-7H-purin-8-one.
Chemical Property Profile of 9-Benzyl-2-butoxy-8-hydroxyadenine
Property Insights of 9-Benzyl-2-butoxy-8-hydroxyadenine
The XLogP value of 1.929 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Benzyl-2-butoxy-8-hydroxyadenine. The TPSA of 98.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Benzyl-2-butoxy-8-hydroxyadenine. Following Lipinski's Rule of Five, 9-Benzyl-2-butoxy-8-hydroxyadenine 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 9-Benzyl-2-butoxy-8-hydroxyadenine?
The CAS number of 9-Benzyl-2-butoxy-8-hydroxyadenine is 226906-84-9.
What is the molecular formula of 9-Benzyl-2-butoxy-8-hydroxyadenine?
The molecular formula of 9-Benzyl-2-butoxy-8-hydroxyadenine is C16H19N5O2.
What is the molecular weight of 9-Benzyl-2-butoxy-8-hydroxyadenine?
The molecular weight of 9-Benzyl-2-butoxy-8-hydroxyadenine is 313.15 g/mol.
Where can I buy 9-Benzyl-2-butoxy-8-hydroxyadenine?
You can request a quote for 9-Benzyl-2-butoxy-8-hydroxyadenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Benzyl-2-butoxy-8-hydroxyadenine?
Yes, KEHONG BIO provides custom synthesis services for 9-Benzyl-2-butoxy-8-hydroxyadenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.