A1AR antagonist 6
TL;DR: A1AR antagonist 6 (CAS 329693-22-3) is a chemical compound with molecular formula C17H15N3O2 and molecular weight 293.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: A1AR antagonist 6, BAS 00672972, 2-amino-4-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, A0911/0042691, 2-amino-4-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
| Molecular Formula | C17H15N3O2 |
|---|---|
| Molecular Weight | 293.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 81.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.11642 |
| Heavy Atoms | 22 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 329693-22-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC4=C(C=C3)OCO4 |
| InChIKey | XLHNDQCQIVHZLN-UHFFFAOYSA-N |
Product Overview
A1AR antagonist 6 (CAS 329693-22-3), with molecular formula C17H15N3O2 and molecular weight 293.12 g/mol. IUPAC: 2-amino-4-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of A1AR antagonist 6
Property Insights of A1AR antagonist 6
The XLogP value of 3.4 indicates that A1AR antagonist 6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.2 Ų falls within the moderate polarity range, balancing permeability and solubility for A1AR antagonist 6. Following Lipinski's Rule of Five, A1AR antagonist 6 has 1 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 A1AR antagonist 6?
The CAS number of A1AR antagonist 6 is 329693-22-3.
What is the molecular formula of A1AR antagonist 6?
The molecular formula of A1AR antagonist 6 is C17H15N3O2.
What is the molecular weight of A1AR antagonist 6?
The molecular weight of A1AR antagonist 6 is 293.12 g/mol.
Where can I buy A1AR antagonist 6?
You can request a quote for A1AR antagonist 6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1AR antagonist 6?
Yes, KEHONG BIO provides custom synthesis services for A1AR antagonist 6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.