Adenallene
TL;DR: Adenallene (CAS 114987-18-7) 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)buta-2,3-dien-1-ol
Also Known As: Adenallene, R-(-)-Adenallene, S-(+)-Adenallene, [R,(-)]-Adenallene, [S,(+)]-Adenallene
| Molecular Formula | C9H9N5O |
|---|---|
| Molecular Weight | 203.08 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.0807 |
| Heavy Atoms | 15 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 114987-18-7 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)C=C=CCO)N |
| InChIKey | TYQIYCWCVLIXPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Adenallene (CAS 114987-18-7), with molecular formula C9H9N5O and molecular weight 203.08 g/mol. IUPAC: 4-(6-aminopurin-9-yl)buta-2,3-dien-1-ol.
Chemical Property Profile of Adenallene
Property Insights of Adenallene
The XLogP value of -0.9 indicates that Adenallene 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 Adenallene. Following Lipinski's Rule of Five, Adenallene 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 Adenallene?
The CAS number of Adenallene is 114987-18-7.
What is the molecular formula of Adenallene?
The molecular formula of Adenallene is C9H9N5O.
What is the molecular weight of Adenallene?
The molecular weight of Adenallene is 203.08 g/mol.
Where can I buy Adenallene?
You can request a quote for Adenallene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenallene?
Yes, KEHONG BIO provides custom synthesis services for Adenallene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.