11P-581S
TL;DR: 11P-581S (CAS 860649-89-4) is a chemical compound with molecular formula C20H12Cl3N3O2 and molecular weight 431.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3,4-dichlorophenyl)methyl]pyridin-2-one
Also Known As: 11P-581S, 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3,4-dichlorophenyl)methyl]pyridin-2-one, 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dichlorobenzyl)-2(1H)-pyridinone, 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3,4-dichlorophenyl)methyl]-1,2-dihydropyridin-2-one
| Molecular Formula | C20H12Cl3N3O2 |
|---|---|
| Molecular Weight | 431.00 g/mol |
| LogP | 5.5738 |
| Topological Polar Surface Area | 60.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.9995 |
| Heavy Atoms | 28 |
| Complexity | 1200.0491 |
Chemical Identifiers
| CAS Number | 860649-89-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NOC(=N2)C3=CN(C(=O)C=C3)CC4=CC(=C(C=C4)Cl)Cl)Cl |
Product Overview
11P-581S (CAS 860649-89-4), with molecular formula C20H12Cl3N3O2 and molecular weight 431.00 g/mol. IUPAC: 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3,4-dichlorophenyl)methyl]pyridin-2-one.
Chemical Property Profile of 11P-581S
Property Insights of 11P-581S
The XLogP value of 5.5738 indicates that 11P-581S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 11P-581S. Following Lipinski's Rule of Five, 11P-581S has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11P-581S?
The CAS number of 11P-581S is 860649-89-4.
What is the molecular formula of 11P-581S?
The molecular formula of 11P-581S is C20H12Cl3N3O2.
What is the molecular weight of 11P-581S?
The molecular weight of 11P-581S is 431.00 g/mol.
Where can I buy 11P-581S?
You can request a quote for 11P-581S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11P-581S?
Yes, KEHONG BIO provides custom synthesis services for 11P-581S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.