NCI60_025588
TL;DR: NCI60_025588 (CAS 304881-18-3) is a chemical compound with molecular formula C12H16F3N3O4 and molecular weight 323.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3,3-trifluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-(propanoylamino)propanoate
Also Known As: NCI60_025588, Alanine, 3,3,3-trifluoro-N-(5-methyl-3-isoxazolyl)-2-[(1-oxopropyl)amino]-, ethyl ester, Ethyl 3,3,3-trifluoro-2-((5-methyl-3-isoxazolyl)amino)-2-(propionylamino)propanoate, ethyl 3,3,3-trifluoro-2-((5-methylisoxazol-3-yl)amino)-2-propionamidopropanoate, ethyl 3,3,3-trifluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-(propanoylamino)propanoate
| Molecular Formula | C12H16F3N3O4 |
|---|---|
| Molecular Weight | 323.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 323.10928 |
| Heavy Atoms | 22 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 304881-18-3 |
|---|---|
| SMILES | CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=NOC(=C1)C |
| InChIKey | SZKHGLQOYFICIL-UHFFFAOYSA-N |
Product Overview
NCI60_025588 (CAS 304881-18-3), with molecular formula C12H16F3N3O4 and molecular weight 323.11 g/mol. IUPAC: ethyl 3,3,3-trifluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-(propanoylamino)propanoate.
Chemical Property Profile of NCI60_025588
Property Insights of NCI60_025588
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_025588. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_025588. Following Lipinski's Rule of Five, NCI60_025588 has 2 hydrogen bond donor(s) and 9 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_025588?
The CAS number of NCI60_025588 is 304881-18-3.
What is the molecular formula of NCI60_025588?
The molecular formula of NCI60_025588 is C12H16F3N3O4.
What is the molecular weight of NCI60_025588?
The molecular weight of NCI60_025588 is 323.11 g/mol.
Where can I buy NCI60_025588?
You can request a quote for NCI60_025588 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_025588?
Yes, KEHONG BIO provides custom synthesis services for NCI60_025588 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.