3J-556S
TL;DR: 3J-556S (CAS 1009248-84-3) is a chemical compound with molecular formula C21H22Cl2N2O2 and molecular weight 404.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,4-dichlorophenyl)methyl]-4-(2,2-dimethylpropanoyl)-3-methyl-3H-quinoxalin-2-one
Also Known As: 3J-556S, 1-(3,4-dichlorobenzyl)-4-(2,2-dimethylpropanoyl)-3-methyl-3,4-dihydro-2(1H)-quinoxalinone, 1-[(3,4-dichlorophenyl)methyl]-4-(2,2-dimethylpropanoyl)-3-methyl-3H-quinoxalin-2-one, 2(1H)-Quinoxalinone, 1-[(3,4-dichlorophenyl)methyl]-4-(2,2-dimethyl-1-oxopropyl)-3,4-dihydro-3-methyl-, 1-(3,4-Dichlorobenzyl)-3-methyl-4-pivaloyl-3,4-dihydroquinoxalin-2(1H)-one
| Molecular Formula | C21H22Cl2N2O2 |
|---|---|
| Molecular Weight | 404.11 g/mol |
| LogP | 5.3078 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 404.10583 |
| Heavy Atoms | 27 |
| Complexity | 905.29486 |
Chemical Identifiers
| CAS Number | 1009248-84-3 |
|---|---|
| SMILES | CC1C(=O)N(C2=CC=CC=C2N1C(=O)C(C)(C)C)CC3=CC(=C(C=C3)Cl)Cl |
Product Overview
3J-556S (CAS 1009248-84-3), with molecular formula C21H22Cl2N2O2 and molecular weight 404.11 g/mol. IUPAC: 1-[(3,4-dichlorophenyl)methyl]-4-(2,2-dimethylpropanoyl)-3-methyl-3H-quinoxalin-2-one.
Chemical Property Profile of 3J-556S
Property Insights of 3J-556S
The XLogP value of 5.3078 indicates that 3J-556S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, 3J-556S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3J-556S has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3J-556S?
The CAS number of 3J-556S is 1009248-84-3.
What is the molecular formula of 3J-556S?
The molecular formula of 3J-556S is C21H22Cl2N2O2.
What is the molecular weight of 3J-556S?
The molecular weight of 3J-556S is 404.11 g/mol.
Where can I buy 3J-556S?
You can request a quote for 3J-556S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3J-556S?
Yes, KEHONG BIO provides custom synthesis services for 3J-556S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.