11E-913
TL;DR: 11E-913 (CAS 400075-14-1) is a chemical compound with molecular formula C21H11Cl4N5 and molecular weight 472.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dichlorophenyl)-N-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
Also Known As: 11E-913, 3-(2,4-dichlorophenyl)-N-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine, N-(3,4-dichlorophenyl)-N-[3-(2,4-dichlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]amine
| Molecular Formula | C21H11Cl4N5 |
|---|---|
| Molecular Weight | 472.98 g/mol |
| LogP | 7.3017 |
| Topological Polar Surface Area | 55.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 472.97687 |
| Heavy Atoms | 30 |
| Complexity | 1430.4038 |
Chemical Identifiers
| CAS Number | 400075-14-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=NN=C(N3C(=N2)NC4=CC(=C(C=C4)Cl)Cl)C5=C(C=C(C=C5)Cl)Cl |
Product Overview
11E-913 (CAS 400075-14-1), with molecular formula C21H11Cl4N5 and molecular weight 472.98 g/mol. IUPAC: 3-(2,4-dichlorophenyl)-N-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.
Chemical Property Profile of 11E-913
Property Insights of 11E-913
The XLogP value of 7.3017 indicates that 11E-913 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.11 Ų, 11E-913 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11E-913 has 1 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 11E-913?
The CAS number of 11E-913 is 400075-14-1.
What is the molecular formula of 11E-913?
The molecular formula of 11E-913 is C21H11Cl4N5.
What is the molecular weight of 11E-913?
The molecular weight of 11E-913 is 472.98 g/mol.
Where can I buy 11E-913?
You can request a quote for 11E-913 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11E-913?
Yes, KEHONG BIO provides custom synthesis services for 11E-913 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.