1L-912
TL;DR: 1L-912 (CAS 477867-41-7) is a chemical compound with molecular formula C21H15Cl2F3N6O5 and molecular weight 558.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-(3-chlorophenyl)-5-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-one
Also Known As: 1L-912, 4-Chloro-2-(3-chlorophenyl)-5-(4-(2,6-dinitro-4-(trifluoromethyl)phenyl)piperazino)-3(2H)-pyridazinone, 4-chloro-2-(3-chlorophenyl)-5-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-one, 4-chloro-2-(3-chlorophenyl)-5-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2,3-dihydropyridazin-3-one, 4-chloro-2-(3-chlorophenyl)-5-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazino}-3(2H)-pyridazinone
| Molecular Formula | C21H15Cl2F3N6O5 |
|---|---|
| Molecular Weight | 558.04 g/mol |
| LogP | 4.7011 |
| Topological Polar Surface Area | 127.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 558.04333 |
| Heavy Atoms | 37 |
| Complexity | 1422.3132 |
Chemical Identifiers
| CAS Number | 477867-41-7 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC(=CC=C3)Cl)Cl)C4=C(C=C(C=C4[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
Product Overview
1L-912 (CAS 477867-41-7), with molecular formula C21H15Cl2F3N6O5 and molecular weight 558.04 g/mol. IUPAC: 4-chloro-2-(3-chlorophenyl)-5-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-one.
Chemical Property Profile of 1L-912
Property Insights of 1L-912
The XLogP value of 4.7011 indicates that 1L-912 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 1L-912. Following Lipinski's Rule of Five, 1L-912 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1L-912?
The CAS number of 1L-912 is 477867-41-7.
What is the molecular formula of 1L-912?
The molecular formula of 1L-912 is C21H15Cl2F3N6O5.
What is the molecular weight of 1L-912?
The molecular weight of 1L-912 is 558.04 g/mol.
Where can I buy 1L-912?
You can request a quote for 1L-912 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1L-912?
Yes, KEHONG BIO provides custom synthesis services for 1L-912 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.