A-286982
TL;DR: A-286982 (CAS 280749-17-9) is a chemical compound with molecular formula C24H27N3O4S and molecular weight 453.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(4-acetylpiperazin-1-yl)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-en-1-one
Also Known As: A-286982, A 286982, EX-A4719, J1.433.716D, J1.538.411E
| Molecular Formula | C24H27N3O4S |
|---|---|
| Molecular Weight | 453.17 g/mol |
| LogP | 4.5733 |
| Topological Polar Surface Area | 83.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.17224 |
| Heavy Atoms | 32 |
| Complexity | 1043.2899 |
Chemical Identifiers
| CAS Number | 280749-17-9 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)/C=C/C(=O)N3CCN(CC3)C(=O)C)[N+](=O)[O-] |
Product Overview
A-286982 (CAS 280749-17-9), with molecular formula C24H27N3O4S and molecular weight 453.17 g/mol. IUPAC: (E)-1-(4-acetylpiperazin-1-yl)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-en-1-one.
Chemical Property Profile of A-286982
Property Insights of A-286982
The XLogP value of 4.5733 indicates that A-286982 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.76 Ų falls within the moderate polarity range, balancing permeability and solubility for A-286982. Following Lipinski's Rule of Five, A-286982 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 A-286982?
The CAS number of A-286982 is 280749-17-9.
What is the molecular formula of A-286982?
The molecular formula of A-286982 is C24H27N3O4S.
What is the molecular weight of A-286982?
The molecular weight of A-286982 is 453.17 g/mol.
Where can I buy A-286982?
You can request a quote for A-286982 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A-286982?
Yes, KEHONG BIO provides custom synthesis services for A-286982 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.