NCI60_025492
TL;DR: NCI60_025492 (CAS 5001-39-8) is a chemical compound with molecular formula C13H15F6N3O3S and molecular weight 407.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[[1,1,1,3,3,3-hexafluoro-2-(propanoylamino)propan-2-yl]amino]-1,3-thiazol-5-yl]acetate
Also Known As: NCI60_025492, 2-(benzyl-isopropyl-amino)-1-indol-5-yl-ethanone, 2-(Benzyl-isopropyl-amino)-1-(1H-indol-5-yl)-ethanone, ethyl 2-[2-[[2,2,2-trifluoro-1-(propanoylamino)-1-(trifluoromethyl)ethyl]amino]thiazol-5-yl]acetate, ethyl(2-((2,2,2-trifluoro-1-(propionylamino)-1-(trifluoromethyl)ethyl)amino)-1,3-thiazol-5-yl)acetate
| Molecular Formula | C13H15F6N3O3S |
|---|---|
| Molecular Weight | 407.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 407.07382 |
| Heavy Atoms | 26 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 5001-39-8 |
|---|---|
| SMILES | CCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=NC=C(S1)CC(=O)OCC |
| InChIKey | MFZIVYFWDZPKNC-UHFFFAOYSA-N |
Product Overview
NCI60_025492 (CAS 5001-39-8), with molecular formula C13H15F6N3O3S and molecular weight 407.07 g/mol. IUPAC: ethyl 2-[2-[[1,1,1,3,3,3-hexafluoro-2-(propanoylamino)propan-2-yl]amino]-1,3-thiazol-5-yl]acetate.
Chemical Property Profile of NCI60_025492
Property Insights of NCI60_025492
The XLogP value of 4.0 indicates that NCI60_025492 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_025492. Following Lipinski's Rule of Five, NCI60_025492 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_025492?
The CAS number of NCI60_025492 is 5001-39-8.
What is the molecular formula of NCI60_025492?
The molecular formula of NCI60_025492 is C13H15F6N3O3S.
What is the molecular weight of NCI60_025492?
The molecular weight of NCI60_025492 is 407.07 g/mol.
Where can I buy NCI60_025492?
You can request a quote for NCI60_025492 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_025492?
Yes, KEHONG BIO provides custom synthesis services for NCI60_025492 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.