AB00116866-01
TL;DR: AB00116866-01 (CAS 431933-64-1) is a chemical compound with molecular formula C24H31N3O2 and molecular weight 393.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(Z)-1-(4-tert-butylphenyl)-3-[2-(dimethylamino)ethylamino]-3-oxoprop-1-en-2-yl]benzamide
Also Known As: AB00116866-01, N-[(Z)-1-(4-tert-butylphenyl)-3-(2-dimethylaminoethylamino)-3-oxoprop-1-en-2-yl]benzamide, N-[1-(2-dimethylaminoethylcarbamoyl)-2-(4-tert-butylphenyl)ethenyl]benzamide, (2Z)-N-[2-(dimethylamino)ethyl]-3-[4-(tert-butyl)phenyl]-2-(phenylcarbonylamin o)prop-2-enamide, N-[(1Z)-1-(4-tert-butylphenyl)-3-{[2-(dimethylamino)ethyl]amino}-3-oxoprop-1-en-2-yl]benzamide
| Molecular Formula | C24H31N3O2 |
|---|---|
| Molecular Weight | 393.24 g/mol |
| LogP | 3.4328 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.24164 |
| Heavy Atoms | 29 |
| Complexity | 847.9446 |
Chemical Identifiers
| CAS Number | 431933-64-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)/C=C(/C(=O)NCCN(C)C)\NC(=O)C2=CC=CC=C2 |
Product Overview
AB00116866-01 (CAS 431933-64-1), with molecular formula C24H31N3O2 and molecular weight 393.24 g/mol. IUPAC: N-[(Z)-1-(4-tert-butylphenyl)-3-[2-(dimethylamino)ethylamino]-3-oxoprop-1-en-2-yl]benzamide.
Chemical Property Profile of AB00116866-01
Property Insights of AB00116866-01
The XLogP value of 3.4328 indicates that AB00116866-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00116866-01. Following Lipinski's Rule of Five, AB00116866-01 has 2 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 AB00116866-01?
The CAS number of AB00116866-01 is 431933-64-1.
What is the molecular formula of AB00116866-01?
The molecular formula of AB00116866-01 is C24H31N3O2.
What is the molecular weight of AB00116866-01?
The molecular weight of AB00116866-01 is 393.24 g/mol.
Where can I buy AB00116866-01?
You can request a quote for AB00116866-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00116866-01?
Yes, KEHONG BIO provides custom synthesis services for AB00116866-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.