11P-802
TL;DR: 11P-802 (CAS 677749-44-9) is a chemical compound with molecular formula C19H13Cl4N3O2 and molecular weight 454.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,6-dichlorophenyl)methyl]-1-[1-(3,5-dichlorophenyl)triazol-4-yl]butane-1,3-dione
Also Known As: 11P-802, 2-(2,6-dichlorobenzyl)-1-[1-(3,5-dichlorophenyl)-1H-1,2,3-triazol-4-yl]-1,3-butanedione, 2-[(2,6-dichlorophenyl)methyl]-1-[1-(3,5-dichlorophenyl)triazol-4-yl]butane-1,3-dione, 1-[1-(3,5-dichlorophenyl)-1H-1,2,3-triazol-4-yl]-2-[(2,6-dichlorophenyl)methyl]butane-1,3-dione
| Molecular Formula | C19H13Cl4N3O2 |
|---|---|
| Molecular Weight | 454.98 g/mol |
| LogP | 5.5115 |
| Topological Polar Surface Area | 64.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.9762 |
| Heavy Atoms | 28 |
| Complexity | 1024.5824 |
Chemical Identifiers
| CAS Number | 677749-44-9 |
|---|---|
| SMILES | CC(=O)C(CC1=C(C=CC=C1Cl)Cl)C(=O)C2=CN(N=N2)C3=CC(=CC(=C3)Cl)Cl |
Product Overview
11P-802 (CAS 677749-44-9), with molecular formula C19H13Cl4N3O2 and molecular weight 454.98 g/mol. IUPAC: 2-[(2,6-dichlorophenyl)methyl]-1-[1-(3,5-dichlorophenyl)triazol-4-yl]butane-1,3-dione.
Chemical Property Profile of 11P-802
Property Insights of 11P-802
The XLogP value of 5.5115 indicates that 11P-802 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 11P-802. Following Lipinski's Rule of Five, 11P-802 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-802?
The CAS number of 11P-802 is 677749-44-9.
What is the molecular formula of 11P-802?
The molecular formula of 11P-802 is C19H13Cl4N3O2.
What is the molecular weight of 11P-802?
The molecular weight of 11P-802 is 454.98 g/mol.
Where can I buy 11P-802?
You can request a quote for 11P-802 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11P-802?
Yes, KEHONG BIO provides custom synthesis services for 11P-802 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.