AO-022/43453529
TL;DR: AO-022/43453529 (CAS 847036-53-7) is a chemical compound with molecular formula C25H29N3O3 and molecular weight 419.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-6-methyl-1H-indole-2-carboxylate
Also Known As: AO-022/43453529, methyl 3-(2-(4-benzylpiperidin-1-yl)acetamido)-6-methyl-1H-indole-2-carboxylate, Methyl 3-[[2-(4-benzyl-1-piperidyl)acetyl]amino]-6-methyl-1H-indole-2-carboxylate, methyl 3-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-6-methyl-1H-indole-2-carboxylate, methyl 3-{[(4-benzyl-1-piperidinyl)acetyl]amino}-6-methyl-1H-indole-2-carboxylate
| Molecular Formula | C25H29N3O3 |
|---|---|
| Molecular Weight | 419.22 g/mol |
| LogP | 4.15612 |
| Topological Polar Surface Area | 74.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.2209 |
| Heavy Atoms | 31 |
| Complexity | 1066.3107 |
Chemical Identifiers
| CAS Number | 847036-53-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CN3CCC(CC3)CC4=CC=CC=C4 |
Product Overview
AO-022/43453529 (CAS 847036-53-7), with molecular formula C25H29N3O3 and molecular weight 419.22 g/mol. IUPAC: methyl 3-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-6-methyl-1H-indole-2-carboxylate.
Chemical Property Profile of AO-022/43453529
Property Insights of AO-022/43453529
The XLogP value of 4.15612 indicates that AO-022/43453529 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43453529. Following Lipinski's Rule of Five, AO-022/43453529 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-022/43453529?
The CAS number of AO-022/43453529 is 847036-53-7.
What is the molecular formula of AO-022/43453529?
The molecular formula of AO-022/43453529 is C25H29N3O3.
What is the molecular weight of AO-022/43453529?
The molecular weight of AO-022/43453529 is 419.22 g/mol.
Where can I buy AO-022/43453529?
You can request a quote for AO-022/43453529 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453529?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453529 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.