9-(1-Hydroxy-2-octyl)adenine
TL;DR: 9-(1-Hydroxy-2-octyl)adenine (CAS 20776-39-0) is a chemical compound with molecular formula C13H21N5O and molecular weight 263.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-aminopurin-9-yl)octan-1-ol
Also Known As: 9-Hoae, 9-(1-Hydroxy-2-octyl)adenine, 2-(6-aminopurin-9-yl)octan-1-ol, 2-(6-Amino-9H-purin-9-yl)octan-1-ol, 9H-Purine-9-ethanol, 6-amino-beta-hexyl-
| Molecular Formula | C13H21N5O |
|---|---|
| Molecular Weight | 263.17 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 263.17462 |
| Heavy Atoms | 19 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 20776-39-0 |
|---|---|
| SMILES | CCCCCCC(CO)N1C=NC2=C(N=CN=C21)N |
| InChIKey | YXBJLOKJVFLXCO-UHFFFAOYSA-N |
Product Overview
9-(1-Hydroxy-2-octyl)adenine (CAS 20776-39-0), with molecular formula C13H21N5O and molecular weight 263.17 g/mol. IUPAC: 2-(6-aminopurin-9-yl)octan-1-ol.
Chemical Property Profile of 9-(1-Hydroxy-2-octyl)adenine
Property Insights of 9-(1-Hydroxy-2-octyl)adenine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(1-Hydroxy-2-octyl)adenine. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(1-Hydroxy-2-octyl)adenine. Following Lipinski's Rule of Five, 9-(1-Hydroxy-2-octyl)adenine 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-(1-Hydroxy-2-octyl)adenine?
The CAS number of 9-(1-Hydroxy-2-octyl)adenine is 20776-39-0.
What is the molecular formula of 9-(1-Hydroxy-2-octyl)adenine?
The molecular formula of 9-(1-Hydroxy-2-octyl)adenine is C13H21N5O.
What is the molecular weight of 9-(1-Hydroxy-2-octyl)adenine?
The molecular weight of 9-(1-Hydroxy-2-octyl)adenine is 263.17 g/mol.
Where can I buy 9-(1-Hydroxy-2-octyl)adenine?
You can request a quote for 9-(1-Hydroxy-2-octyl)adenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(1-Hydroxy-2-octyl)adenine?
Yes, KEHONG BIO provides custom synthesis services for 9-(1-Hydroxy-2-octyl)adenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.