AT-057/43316672
TL;DR: AT-057/43316672 (CAS 425390-22-3) is a chemical compound with molecular formula C22H27BrN2O4 and molecular weight 462.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenoxy)-1-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]ethanone
Also Known As: AT-057/43316672, 1-[(4-bromophenoxy)acetyl]-4-(3-ethoxy-4-methoxybenzyl)piperazine, 2-(4-bromophenoxy)-1-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]ethanone, 2-(4-bromophenoxy)-1-[4-(3-ethoxy-4-methoxybenzyl)piperazin-1-yl]ethanone, 2-(4-BROMOPHENOXY)-1-[4-(3-ETHOXY-4-METHOXYBENZYL)PIPERAZINO]-1-ETHANONE
| Molecular Formula | C22H27BrN2O4 |
|---|---|
| Molecular Weight | 462.12 g/mol |
| LogP | 3.5796 |
| Topological Polar Surface Area | 51.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.11542 |
| Heavy Atoms | 29 |
| Complexity | 804.9596 |
Chemical Identifiers
| CAS Number | 425390-22-3 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)CN2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br)OC |
Product Overview
AT-057/43316672 (CAS 425390-22-3), with molecular formula C22H27BrN2O4 and molecular weight 462.12 g/mol. IUPAC: 2-(4-bromophenoxy)-1-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]ethanone.
Chemical Property Profile of AT-057/43316672
Property Insights of AT-057/43316672
The XLogP value of 3.5796 indicates that AT-057/43316672 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.24 Ų, AT-057/43316672 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AT-057/43316672 has 0 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 AT-057/43316672?
The CAS number of AT-057/43316672 is 425390-22-3.
What is the molecular formula of AT-057/43316672?
The molecular formula of AT-057/43316672 is C22H27BrN2O4.
What is the molecular weight of AT-057/43316672?
The molecular weight of AT-057/43316672 is 462.12 g/mol.
Where can I buy AT-057/43316672?
You can request a quote for AT-057/43316672 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AT-057/43316672?
Yes, KEHONG BIO provides custom synthesis services for AT-057/43316672 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.