AT-057/43314236
TL;DR: AT-057/43314236 (CAS 428823-03-4) is a chemical compound with molecular formula C23H28ClN3O and molecular weight 397.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-2-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
Also Known As: AT-057/43314236, N-(3-chloro-2-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide, N-(3-chloro-2-methylphenyl)-3-{4-[(2E)-3-phenyl-2-propenyl]-1-piperazinyl}propanamide, 3-(4-CINNAMYLPIPERAZINO)-N~1~-(3-CHLORO-2-METHYLPHENYL)PROPANAMIDE, N-(3-chloro-2-methyl-phenyl)-3-(4-cinnamylpiperazin-1-yl)propanamide
| Molecular Formula | C23H28ClN3O |
|---|---|
| Molecular Weight | 397.19 g/mol |
| LogP | 4.30802 |
| Topological Polar Surface Area | 35.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.19208 |
| Heavy Atoms | 28 |
| Complexity | 798.7497 |
Chemical Identifiers
| CAS Number | 428823-03-4 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)CCN2CCN(CC2)C/C=C/C3=CC=CC=C3 |
Product Overview
AT-057/43314236 (CAS 428823-03-4), with molecular formula C23H28ClN3O and molecular weight 397.19 g/mol. IUPAC: N-(3-chloro-2-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide.
Chemical Property Profile of AT-057/43314236
Property Insights of AT-057/43314236
The XLogP value of 4.30802 indicates that AT-057/43314236 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.58 Ų, AT-057/43314236 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AT-057/43314236 has 1 hydrogen bond donor(s) and 3 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-057/43314236?
The CAS number of AT-057/43314236 is 428823-03-4.
What is the molecular formula of AT-057/43314236?
The molecular formula of AT-057/43314236 is C23H28ClN3O.
What is the molecular weight of AT-057/43314236?
The molecular weight of AT-057/43314236 is 397.19 g/mol.
Where can I buy AT-057/43314236?
You can request a quote for AT-057/43314236 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AT-057/43314236?
Yes, KEHONG BIO provides custom synthesis services for AT-057/43314236 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.