AT-057/43314353
TL;DR: AT-057/43314353 (CAS 1049976-98-8) is a chemical compound with molecular formula C23H28BrN3O and molecular weight 441.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-3-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
Also Known As: AT-057/43314353, N-(4-bromo-3-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide, N-(4-bromo-3-methylphenyl)-3-{4-[(2E)-3-phenyl-2-propenyl]-1-piperazinyl}propanamide, 3-(4-CINNAMYLPIPERAZINO)-N~1~-(4-BROMO-3-METHYLPHENYL)PROPANAMIDE, N-(4-bromo-3-methyl-phenyl)-3-(4-cinnamylpiperazin-1-yl)propanamide
| Molecular Formula | C23H28BrN3O |
|---|---|
| Molecular Weight | 441.14 g/mol |
| LogP | 4.41712 |
| Topological Polar Surface Area | 35.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 441.14157 |
| Heavy Atoms | 28 |
| Complexity | 798.7497 |
Chemical Identifiers
| CAS Number | 1049976-98-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)CCN2CCN(CC2)C/C=C/C3=CC=CC=C3)Br |
Product Overview
AT-057/43314353 (CAS 1049976-98-8), with molecular formula C23H28BrN3O and molecular weight 441.14 g/mol. IUPAC: N-(4-bromo-3-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide.
Chemical Property Profile of AT-057/43314353
Property Insights of AT-057/43314353
The XLogP value of 4.41712 indicates that AT-057/43314353 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-057/43314353 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AT-057/43314353 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-057/43314353?
The CAS number of AT-057/43314353 is 1049976-98-8.
What is the molecular formula of AT-057/43314353?
The molecular formula of AT-057/43314353 is C23H28BrN3O.
What is the molecular weight of AT-057/43314353?
The molecular weight of AT-057/43314353 is 441.14 g/mol.
Where can I buy AT-057/43314353?
You can request a quote for AT-057/43314353 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AT-057/43314353?
Yes, KEHONG BIO provides custom synthesis services for AT-057/43314353 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.