9-(4-Hydroxy-2-butyn)-adenine
TL;DR: 9-(4-Hydroxy-2-butyn)-adenine (CAS 114978-79-9) is a chemical compound with molecular formula C9H9N5O and molecular weight 203.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-aminopurin-9-yl)but-2-yn-1-ol
Also Known As: HOCH2C#C-CH2-adenine, 9-(4-Hydroxy-2-butyn)-adenine, 4-(6-aminopurin-9-yl)but-2-yn-1-ol, 4-(6-amino-9H-purin-9-yl)but-2-yn-1-ol, 4-(6-Amino-purin-9-yl)-but-2-yn-1-ol
| Molecular Formula | C9H9N5O |
|---|---|
| Molecular Weight | 203.08 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.0807 |
| Heavy Atoms | 15 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 114978-79-9 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)CC#CCO)N |
| InChIKey | SRIQEESUOZNCLN-UHFFFAOYSA-N |
Product Overview
9-(4-Hydroxy-2-butyn)-adenine (CAS 114978-79-9), with molecular formula C9H9N5O and molecular weight 203.08 g/mol. IUPAC: 4-(6-aminopurin-9-yl)but-2-yn-1-ol.
Chemical Property Profile of 9-(4-Hydroxy-2-butyn)-adenine
Property Insights of 9-(4-Hydroxy-2-butyn)-adenine
The XLogP value of -0.6 indicates that 9-(4-Hydroxy-2-butyn)-adenine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(4-Hydroxy-2-butyn)-adenine. Following Lipinski's Rule of Five, 9-(4-Hydroxy-2-butyn)-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-(4-Hydroxy-2-butyn)-adenine?
The CAS number of 9-(4-Hydroxy-2-butyn)-adenine is 114978-79-9.
What is the molecular formula of 9-(4-Hydroxy-2-butyn)-adenine?
The molecular formula of 9-(4-Hydroxy-2-butyn)-adenine is C9H9N5O.
What is the molecular weight of 9-(4-Hydroxy-2-butyn)-adenine?
The molecular weight of 9-(4-Hydroxy-2-butyn)-adenine is 203.08 g/mol.
Where can I buy 9-(4-Hydroxy-2-butyn)-adenine?
You can request a quote for 9-(4-Hydroxy-2-butyn)-adenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(4-Hydroxy-2-butyn)-adenine?
Yes, KEHONG BIO provides custom synthesis services for 9-(4-Hydroxy-2-butyn)-adenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.