C18H10F3N5O3
TL;DR: C18H10F3N5O3 (CAS 1024672-73-8) is a chemical compound with molecular formula C18H10F3N5O3 and molecular weight 401.07358 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-3-[[5-nitro-2-[4-(trifluoromethyl)phenoxy]phenyl]methylideneamino]but-2-enedinitrile
Also Known As: 2-amino-3-[[5-nitro-2-[4-(trifluoromethyl)phenoxy]phenyl]methylideneamino]but-2-enedinitrile, 2-amino-3-[[5-nitro-2-[4-(trifluoromethyl)phenoxy]phenyl]methyleneamino]but-2-enedinitrile, (Z)-2-amino-3-[((E)-{5-nitro-2-[4-(trifluoromethyl)phenoxy]phenyl}methylidene)amino]-2-butenedinitrile, 2-Amino-1-(1-aza-2-(5-nitro-2-(4-(trifluoromethyl)phenoxy)phenyl)vinyl)ethene-1,2-dicarbonitrile, C18H10F3N5O3
Technical Specifications
| Molecular Formula | C18H10F3N5O3 |
| Molecular Weight | 401.07358 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.07358 Da |
| Heavy Atoms | 29 |
| Complexity | 763.0 |
| SMILES | C1=CC(=CC=C1C(F)(F)F)OC2=C(C=C(C=C2)[N+](=O)[O-])C=NC(=C(C#N)N)C#N |
| InChIKey | VRXDVXGWRLZTBT-UHFFFAOYSA-N |
Chemical Property Profile of C18H10F3N5O3
Property Insights of C18H10F3N5O3
The XLogP value of 3.2 indicates that C18H10F3N5O3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting C18H10F3N5O3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C18H10F3N5O3 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C18H10F3N5O3?
The CAS number of C18H10F3N5O3 is 1024672-73-8.
What is the molecular formula of C18H10F3N5O3?
The molecular formula of C18H10F3N5O3 is C18H10F3N5O3.
What is the molecular weight of C18H10F3N5O3?
The molecular weight of C18H10F3N5O3 is 401.07358 g/mol.
Where can I buy C18H10F3N5O3?
You can request a quote for C18H10F3N5O3 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C18H10F3N5O3?
Yes, CoreyChem provides custom synthesis services for C18H10F3N5O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.