AO-081/15570018
TL;DR: AO-081/15570018 (CAS 496941-01-6) is a chemical compound with molecular formula C22H24BrFN4O3 and molecular weight 490.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(4-bromo-3-methylphenyl)-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]oxamide
Also Known As: AO-081/15570018, N'-(4-bromo-3-methylphenyl)-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]oxamide, N'-(4-bromo-3-methyl-phenyl)-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]oxamide, Ethanediamide, N-(4-bromo-3-methylphenyl)-N'-[2-[4-(2-fluorobenzoyl)-1-piperazinyl]ethyl]-, N~1~-(4-bromo-3-methylphenyl)-N~2~-{2-[4-(2-fluorobenzoyl)-1-piperazinyl]ethyl}ethanediamide
| Molecular Formula | C22H24BrFN4O3 |
|---|---|
| Molecular Weight | 490.10 g/mol |
| LogP | 2.40932 |
| Topological Polar Surface Area | 81.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.1016 |
| Heavy Atoms | 31 |
| Complexity | 976.9784 |
Chemical Identifiers
| CAS Number | 496941-01-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)C(=O)NCCN2CCN(CC2)C(=O)C3=CC=CC=C3F)Br |
Product Overview
AO-081/15570018 (CAS 496941-01-6), with molecular formula C22H24BrFN4O3 and molecular weight 490.10 g/mol. IUPAC: N'-(4-bromo-3-methylphenyl)-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]oxamide.
Chemical Property Profile of AO-081/15570018
Property Insights of AO-081/15570018
The XLogP value of 2.40932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-081/15570018. The TPSA of 81.75 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/15570018. Following Lipinski's Rule of Five, AO-081/15570018 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-081/15570018?
The CAS number of AO-081/15570018 is 496941-01-6.
What is the molecular formula of AO-081/15570018?
The molecular formula of AO-081/15570018 is C22H24BrFN4O3.
What is the molecular weight of AO-081/15570018?
The molecular weight of AO-081/15570018 is 490.10 g/mol.
Where can I buy AO-081/15570018?
You can request a quote for AO-081/15570018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/15570018?
Yes, KEHONG BIO provides custom synthesis services for AO-081/15570018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.