AT 61
TL;DR: AT 61 (CAS 265977-72-8) is a chemical compound with molecular formula C21H21ClN2O2 and molecular weight 368.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-1-chloro-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]benzamide
Also Known As: At 61, AT61 cpd, At61, Benzamide, N-(2-chloro-2-phenyl-1-(1-piperidinylcarbonyl)ethenyl)-, J1.030.738D
| Molecular Formula | C21H21ClN2O2 |
|---|---|
| Molecular Weight | 368.13 g/mol |
| LogP | 4.0365 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.12915 |
| Heavy Atoms | 26 |
| Complexity | 797.2755 |
Chemical Identifiers
| CAS Number | 265977-72-8 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)/C(=C(/C2=CC=CC=C2)\Cl)/NC(=O)C3=CC=CC=C3 |
Product Overview
AT 61 (CAS 265977-72-8), with molecular formula C21H21ClN2O2 and molecular weight 368.13 g/mol. IUPAC: N-[(E)-1-chloro-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]benzamide.
Chemical Property Profile of AT 61
Property Insights of AT 61
The XLogP value of 4.0365 indicates that AT 61 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, AT 61 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AT 61 has 1 hydrogen bond donor(s) and 2 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 61?
The CAS number of AT 61 is 265977-72-8.
What is the molecular formula of AT 61?
The molecular formula of AT 61 is C21H21ClN2O2.
What is the molecular weight of AT 61?
The molecular weight of AT 61 is 368.13 g/mol.
Where can I buy AT 61?
You can request a quote for AT 61 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AT 61?
Yes, KEHONG BIO provides custom synthesis services for AT 61 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.