AR 12456
TL;DR: AR 12456 (CAS 100557-06-0) is a chemical compound with molecular formula C17H30N6O and molecular weight 334.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-hexylamino]ethanol
Also Known As: AR 12456, AR-12-456, 2-((5-(Diethylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)(hexyl)amino)ethanol, [1,2,4]Triazolo[1,5-a]pyrimidine,ethanol deriv., 2-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-hexylamino]ethanol
| Molecular Formula | C17H30N6O |
|---|---|
| Molecular Weight | 334.25 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 69.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 334.2481 |
| Heavy Atoms | 24 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 100557-06-0 |
|---|---|
| SMILES | CCCCCCN(CCO)C1=CC(=NC2=NC=NN12)N(CC)CC |
| InChIKey | NWCVGIMEZSWINX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AR 12456 (CAS 100557-06-0), with molecular formula C17H30N6O and molecular weight 334.25 g/mol. IUPAC: 2-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-hexylamino]ethanol.
Chemical Property Profile of AR 12456
Property Insights of AR 12456
The XLogP value of 3.4 indicates that AR 12456 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.8 Ų falls within the moderate polarity range, balancing permeability and solubility for AR 12456. Following Lipinski's Rule of Five, AR 12456 has 1 hydrogen bond donor(s) and 6 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 AR 12456?
The CAS number of AR 12456 is 100557-06-0.
What is the molecular formula of AR 12456?
The molecular formula of AR 12456 is C17H30N6O.
What is the molecular weight of AR 12456?
The molecular weight of AR 12456 is 334.25 g/mol.
Where can I buy AR 12456?
You can request a quote for AR 12456 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AR 12456?
Yes, KEHONG BIO provides custom synthesis services for AR 12456 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.