AT-057/43316696
TL;DR: AT-057/43316696 (CAS 423747-70-0) is a chemical compound with molecular formula C21H25BrN2O3 and molecular weight 432.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
Also Known As: AT-057/43316696, 1-(5-bromo-2-methoxybenzyl)-4-[(4-methylphenoxy)acetyl]piperazine, 1-[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone, 1-[4-(5-bromo-2-methoxybenzyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone, 1-[4-(5-BROMO-2-METHOXYBENZYL)PIPERAZINO]-2-(4-METHYLPHENOXY)-1-ETHANONE
| Molecular Formula | C21H25BrN2O3 |
|---|---|
| Molecular Weight | 432.10 g/mol |
| LogP | 3.48932 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.10486 |
| Heavy Atoms | 27 |
| Complexity | 771.4962 |
Chemical Identifiers
| CAS Number | 423747-70-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CC3=C(C=CC(=C3)Br)OC |
Product Overview
AT-057/43316696 (CAS 423747-70-0), with molecular formula C21H25BrN2O3 and molecular weight 432.10 g/mol. IUPAC: 1-[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone.
Chemical Property Profile of AT-057/43316696
Property Insights of AT-057/43316696
The XLogP value of 3.48932 indicates that AT-057/43316696 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.01 Ų, AT-057/43316696 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AT-057/43316696 has 0 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 AT-057/43316696?
The CAS number of AT-057/43316696 is 423747-70-0.
What is the molecular formula of AT-057/43316696?
The molecular formula of AT-057/43316696 is C21H25BrN2O3.
What is the molecular weight of AT-057/43316696?
The molecular weight of AT-057/43316696 is 432.10 g/mol.
Where can I buy AT-057/43316696?
You can request a quote for AT-057/43316696 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AT-057/43316696?
Yes, KEHONG BIO provides custom synthesis services for AT-057/43316696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.