1L-901
TL;DR: 1L-901 (CAS 477867-33-7) is a chemical compound with molecular formula C20H14Cl2F3N3O3 and molecular weight 471.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-chloro-1-(3-chlorophenyl)-6-oxopyridazin-4-yl]amino]ethyl 3-(trifluoromethyl)benzoate
Also Known As: 1L-901, 2-((5-Chloro-1-(3-chlorophenyl)-6-oxo-1,6-dihydro-4-pyridazinyl)amino)ethyl 3-(trifluoromethyl)benzenecarboxylate, 2-[[5-chloro-1-(3-chlorophenyl)-6-oxopyridazin-4-yl]amino]ethyl 3-(trifluoromethyl)benzoate, 2-{[5-chloro-1-(3-chlorophenyl)-6-oxo-1,6-dihydropyridazin-4-yl]amino}ethyl 3-(trifluoromethyl)benzoate, 2-[[5-chloro-1-(3-chlorophenyl)-6-oxo-pyridazin-4-yl]amino]ethyl 3-(trifluoromethyl)benzoate
| Molecular Formula | C20H14Cl2F3N3O3 |
|---|---|
| Molecular Weight | 471.04 g/mol |
| LogP | 4.827 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.03644 |
| Heavy Atoms | 31 |
| Complexity | 1166.1375 |
Chemical Identifiers
| CAS Number | 477867-33-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(=O)OCCNC2=C(C(=O)N(N=C2)C3=CC(=CC=C3)Cl)Cl |
Product Overview
1L-901 (CAS 477867-33-7), with molecular formula C20H14Cl2F3N3O3 and molecular weight 471.04 g/mol. IUPAC: 2-[[5-chloro-1-(3-chlorophenyl)-6-oxopyridazin-4-yl]amino]ethyl 3-(trifluoromethyl)benzoate.
Chemical Property Profile of 1L-901
Property Insights of 1L-901
The XLogP value of 4.827 indicates that 1L-901 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 1L-901. Following Lipinski's Rule of Five, 1L-901 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1L-901?
The CAS number of 1L-901 is 477867-33-7.
What is the molecular formula of 1L-901?
The molecular formula of 1L-901 is C20H14Cl2F3N3O3.
What is the molecular weight of 1L-901?
The molecular weight of 1L-901 is 471.04 g/mol.
Where can I buy 1L-901?
You can request a quote for 1L-901 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1L-901?
Yes, KEHONG BIO provides custom synthesis services for 1L-901 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.