Ale 36
TL;DR: Ale 36 (CAS 107581-24-8) is a chemical compound with molecular formula C19H18N2O4 and molecular weight 338.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Ale 36
methyl 2-[2-(3,4-dimethoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate
Also Known As: Ale 36, Methyl 2-(3,4-dimethoxystyryl)benzimidazole-4-carboxylate, 1H-Benzimidazole-4-carboxylicacid, 2-[2-(3,4-dimethoxyphenyl)ethenyl]-, methyl ester, (E)- (9CI)
| Molecular Formula | C19H18N2O4 |
|---|---|
| Molecular Weight | 338.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 73.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.12665 |
| Heavy Atoms | 25 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 107581-24-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=CC2=NC3=C(C=CC=C3N2)C(=O)OC)OC |
| InChIKey | NWLYGGNEKCELGY-UHFFFAOYSA-N |
Product Overview
Ale 36 (CAS 107581-24-8), with molecular formula C19H18N2O4 and molecular weight 338.13 g/mol. IUPAC: methyl 2-[2-(3,4-dimethoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate.
Chemical Property Profile of Ale 36
Property Insights of Ale 36
The XLogP value of 3.6 indicates that Ale 36 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ale 36. Following Lipinski's Rule of Five, Ale 36 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 Ale 36?
The CAS number of Ale 36 is 107581-24-8.
What is the molecular formula of Ale 36?
The molecular formula of Ale 36 is C19H18N2O4.
What is the molecular weight of Ale 36?
The molecular weight of Ale 36 is 338.13 g/mol.
Where can I buy Ale 36?
You can request a quote for Ale 36 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ale 36?
Yes, KEHONG BIO provides custom synthesis services for Ale 36 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.