NCI60_026599
TL;DR: NCI60_026599 (CAS 339353-04-7) is a chemical compound with molecular formula C19H23F3N4O6S and molecular weight 492.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]-3,3,3-trifluoro-2-(propanoylamino)propanoate
Also Known As: NCI60_026599, ethyl 2-({4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}amino)-3,3,3-trifluoro-N-propanoylalaninate, Ethyl 2-[4-(3,4-dimethylisoxazol-5-ylsulfamoyl)anilino]-3,3,3-trifluoro-2-propionamidopropionate, ethyl 2-((4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)amino)-3,3,3-trifluoro-2-propionamidopropanoate, ETHYL 2-({4-[(3,4-DIMETHYL-1,2-OXAZOL-5-YL)SULFAMOYL]PHENYL}AMINO)-3,3,3-TRIFLUORO-2-PROPANAMIDOPROPANOATE
| Molecular Formula | C19H23F3N4O6S |
|---|---|
| Molecular Weight | 492.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 492.12903 |
| Heavy Atoms | 33 |
| Complexity | 798.0 |
Chemical Identifiers
| CAS Number | 339353-04-7 |
|---|---|
| SMILES | CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NO2)C)C |
| InChIKey | QNLREGMUIGZUPP-UHFFFAOYSA-N |
Product Overview
NCI60_026599 (CAS 339353-04-7), with molecular formula C19H23F3N4O6S and molecular weight 492.13 g/mol. IUPAC: ethyl 2-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]-3,3,3-trifluoro-2-(propanoylamino)propanoate.
Chemical Property Profile of NCI60_026599
Property Insights of NCI60_026599
The XLogP value of 3.7 indicates that NCI60_026599 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting NCI60_026599 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_026599 has 3 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_026599?
The CAS number of NCI60_026599 is 339353-04-7.
What is the molecular formula of NCI60_026599?
The molecular formula of NCI60_026599 is C19H23F3N4O6S.
What is the molecular weight of NCI60_026599?
The molecular weight of NCI60_026599 is 492.13 g/mol.
Where can I buy NCI60_026599?
You can request a quote for NCI60_026599 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_026599?
Yes, KEHONG BIO provides custom synthesis services for NCI60_026599 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.