NCI60_030474
TL;DR: NCI60_030474 (CAS 372180-48-8) is a chemical compound with molecular formula C16H18F6N2O3 and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanoate
Also Known As: NCI60_030474, ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanoate, ethyl 3,3,3-trifluoro-N-propanoyl-2-{[3-(trifluoromethyl)benzyl]amino}alaninate, Ethyl 3,3,3-trifluoro-2-(propionylamino)-2-((3-(trifluoromethyl)benzyl)amino)propanoate, ethyl 3,3,3-trifluoro-2-propionamido-2-((3-(trifluoromethyl)benzyl)amino)propanoate
| Molecular Formula | C16H18F6N2O3 |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 400.12216 |
| Heavy Atoms | 27 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 372180-48-8 |
|---|---|
| SMILES | CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NCC1=CC(=CC=C1)C(F)(F)F |
| InChIKey | IYWPSMCNQLMKKH-UHFFFAOYSA-N |
Product Overview
NCI60_030474 (CAS 372180-48-8), with molecular formula C16H18F6N2O3 and molecular weight 400.12 g/mol. IUPAC: ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanoate.
Chemical Property Profile of NCI60_030474
Property Insights of NCI60_030474
The XLogP value of 3.3 indicates that NCI60_030474 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_030474. Following Lipinski's Rule of Five, NCI60_030474 has 2 hydrogen bond donor(s) and 10 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 NCI60_030474?
The CAS number of NCI60_030474 is 372180-48-8.
What is the molecular formula of NCI60_030474?
The molecular formula of NCI60_030474 is C16H18F6N2O3.
What is the molecular weight of NCI60_030474?
The molecular weight of NCI60_030474 is 400.12 g/mol.
Where can I buy NCI60_030474?
You can request a quote for NCI60_030474 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_030474?
Yes, KEHONG BIO provides custom synthesis services for NCI60_030474 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.