AO-022/43452801
TL;DR: AO-022/43452801 (CAS 849009-38-7) is a chemical compound with molecular formula C24H27ClN4O3 and molecular weight 454.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate
Also Known As: AO-022/43452801, methyl 3-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]acetyl}amino)-4-methyl-1H-indole-2-carboxylate, methyl 3-(2-(4-(5-chloro-2-methylphenyl)piperazin-1-yl)acetamido)-4-methyl-1H-indole-2-carboxylate, methyl 3-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate, methyl 3-({[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl}amino)-4-methyl-1H-indole-2-carboxylate
| Molecular Formula | C24H27ClN4O3 |
|---|---|
| Molecular Weight | 454.18 g/mol |
| LogP | 3.98544 |
| Topological Polar Surface Area | 77.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.17715 |
| Heavy Atoms | 32 |
| Complexity | 1165.5059 |
Chemical Identifiers
| CAS Number | 849009-38-7 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)NC(=C2NC(=O)CN3CCN(CC3)C4=C(C=CC(=C4)Cl)C)C(=O)OC |
Product Overview
AO-022/43452801 (CAS 849009-38-7), with molecular formula C24H27ClN4O3 and molecular weight 454.18 g/mol. IUPAC: methyl 3-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate.
Chemical Property Profile of AO-022/43452801
Property Insights of AO-022/43452801
The XLogP value of 3.98544 indicates that AO-022/43452801 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.67 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43452801. Following Lipinski's Rule of Five, AO-022/43452801 has 2 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 AO-022/43452801?
The CAS number of AO-022/43452801 is 849009-38-7.
What is the molecular formula of AO-022/43452801?
The molecular formula of AO-022/43452801 is C24H27ClN4O3.
What is the molecular weight of AO-022/43452801?
The molecular weight of AO-022/43452801 is 454.18 g/mol.
Where can I buy AO-022/43452801?
You can request a quote for AO-022/43452801 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43452801?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43452801 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.