1E-009
TL;DR: 1E-009 (CAS 320417-46-7) is a chemical compound with molecular formula C18H12ClF6N5O and molecular weight 463.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-methylamino]-3-(4-chlorophenyl)urea
Also Known As: 1E-009, 2-[5,7-bis(trifluoromethyl)[1,8]naphthyridin-2-yl]-N-(4-chlorophenyl)-2-methyl-1-hydrazinecarboxamide, 1-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-methylamino]-3-(4-chlorophenyl)urea, 1-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-methyl-amino]-3-(4-chlorophenyl)urea, 3-{[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl](methyl)amino}-1-(4-chlorophenyl)urea
| Molecular Formula | C18H12ClF6N5O |
|---|---|
| Molecular Weight | 463.06 g/mol |
| LogP | 5.4937 |
| Topological Polar Surface Area | 70.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 463.06345 |
| Heavy Atoms | 31 |
| Complexity | 1117.3539 |
Chemical Identifiers
| CAS Number | 320417-46-7 |
|---|---|
| SMILES | CN(C1=NC2=C(C=C1)C(=CC(=N2)C(F)(F)F)C(F)(F)F)NC(=O)NC3=CC=C(C=C3)Cl |
Product Overview
1E-009 (CAS 320417-46-7), with molecular formula C18H12ClF6N5O and molecular weight 463.06 g/mol. IUPAC: 1-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-methylamino]-3-(4-chlorophenyl)urea.
Chemical Property Profile of 1E-009
Property Insights of 1E-009
The XLogP value of 5.4937 indicates that 1E-009 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1E-009. Following Lipinski's Rule of Five, 1E-009 has 2 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 1E-009?
The CAS number of 1E-009 is 320417-46-7.
What is the molecular formula of 1E-009?
The molecular formula of 1E-009 is C18H12ClF6N5O.
What is the molecular weight of 1E-009?
The molecular weight of 1E-009 is 463.06 g/mol.
Where can I buy 1E-009?
You can request a quote for 1E-009 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1E-009?
Yes, KEHONG BIO provides custom synthesis services for 1E-009 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.