Azarole
TL;DR: Azarole (CAS 55872-82-7) is a chemical compound with molecular formula C14H12N4 and molecular weight 236.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,4-N-di(pyrrol-1-yl)cyclohexa-2,5-diene-1,4-diimine
Also Known As: Azarole, Azarole [USAN], Azarole whole, Azarole (USAN), Crataegus azarolus whole
| Molecular Formula | C14H12N4 |
|---|---|
| Molecular Weight | 236.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 34.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.1062 |
| Heavy Atoms | 18 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 55872-82-7 |
|---|---|
| SMILES | C1=CN(C=C1)N=C2C=CC(=NN3C=CC=C3)C=C2 |
| InChIKey | VQKVZNAYFUDTTE-UHFFFAOYSA-N |
Product Overview
Azarole (CAS 55872-82-7), with molecular formula C14H12N4 and molecular weight 236.11 g/mol. IUPAC: 1-N,4-N-di(pyrrol-1-yl)cyclohexa-2,5-diene-1,4-diimine.
Chemical Property Profile of Azarole
Property Insights of Azarole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azarole. With a topological polar surface area (TPSA) of 34.6 Ų, Azarole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azarole has 0 hydrogen bond donor(s) and 2 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 Azarole?
The CAS number of Azarole is 55872-82-7.
What is the molecular formula of Azarole?
The molecular formula of Azarole is C14H12N4.
What is the molecular weight of Azarole?
The molecular weight of Azarole is 236.11 g/mol.
Where can I buy Azarole?
You can request a quote for Azarole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azarole?
Yes, KEHONG BIO provides custom synthesis services for Azarole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.