AO-022/43453172
TL;DR: AO-022/43453172 (CAS 896805-00-8) is a chemical compound with molecular formula C27H30N6O and molecular weight 454.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-3-phenylurea
Also Known As: AO-022/43453172, 1-{1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazol-5-yl}-3-phenylurea, 1-(1-methyl-2-(2-(4-phenylpiperazin-1-yl)ethyl)-1H-benzo[d]imidazol-5-yl)-3-phenylurea, 1-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-3-phenylurea, 1-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzoimidazol-5-yl]-3-phenyl-urea
| Molecular Formula | C27H30N6O |
|---|---|
| Molecular Weight | 454.25 g/mol |
| LogP | 4.582 |
| Topological Polar Surface Area | 65.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.2481 |
| Heavy Atoms | 34 |
| Complexity | 1246.3617 |
Chemical Identifiers
| CAS Number | 896805-00-8 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)N=C1CCN4CCN(CC4)C5=CC=CC=C5 |
Product Overview
AO-022/43453172 (CAS 896805-00-8), with molecular formula C27H30N6O and molecular weight 454.25 g/mol. IUPAC: 1-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-3-phenylurea.
Chemical Property Profile of AO-022/43453172
Property Insights of AO-022/43453172
The XLogP value of 4.582 indicates that AO-022/43453172 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43453172. Following Lipinski's Rule of Five, AO-022/43453172 has 2 hydrogen bond donor(s) and 4 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 AO-022/43453172?
The CAS number of AO-022/43453172 is 896805-00-8.
What is the molecular formula of AO-022/43453172?
The molecular formula of AO-022/43453172 is C27H30N6O.
What is the molecular weight of AO-022/43453172?
The molecular weight of AO-022/43453172 is 454.25 g/mol.
Where can I buy AO-022/43453172?
You can request a quote for AO-022/43453172 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453172?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453172 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.