AO-990/40758331
TL;DR: AO-990/40758331 (CAS 491867-80-2) is a chemical compound with molecular formula C22H24ClN3O4 and molecular weight 429.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetamide
Also Known As: AO-990/40758331, N-(6-ACETYLBENZO[D]1,3-DIOXOLEN-5-YL)-2-(4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)ETHANAMIDE, N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]acetamide
| Molecular Formula | C22H24ClN3O4 |
|---|---|
| Molecular Weight | 429.15 g/mol |
| LogP | 3.34042 |
| Topological Polar Surface Area | 71.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.14554 |
| Heavy Atoms | 30 |
| Complexity | 986.5882 |
Chemical Identifiers
| CAS Number | 491867-80-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(=O)NC3=CC4=C(C=C3C(=O)C)OCO4 |
Product Overview
AO-990/40758331 (CAS 491867-80-2), with molecular formula C22H24ClN3O4 and molecular weight 429.15 g/mol. IUPAC: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetamide.
Chemical Property Profile of AO-990/40758331
Property Insights of AO-990/40758331
The XLogP value of 3.34042 indicates that AO-990/40758331 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.11 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-990/40758331. Following Lipinski's Rule of Five, AO-990/40758331 has 1 hydrogen bond donor(s) and 6 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-990/40758331?
The CAS number of AO-990/40758331 is 491867-80-2.
What is the molecular formula of AO-990/40758331?
The molecular formula of AO-990/40758331 is C22H24ClN3O4.
What is the molecular weight of AO-990/40758331?
The molecular weight of AO-990/40758331 is 429.15 g/mol.
Where can I buy AO-990/40758331?
You can request a quote for AO-990/40758331 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-990/40758331?
Yes, KEHONG BIO provides custom synthesis services for AO-990/40758331 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.