12E-918
TL;DR: 12E-918 (CAS 303997-13-9) is a chemical compound with molecular formula C23H17Cl2F3N2O7 and molecular weight 560.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[2-(2,4-dichlorobenzoyl)oxyethoxy]-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylate
Also Known As: 12E-918, ethyl 3-{2-[(2,4-dichlorobenzoyl)oxy]ethoxy}-5-{[3-(trifluoromethyl)benzoyl]amino}-4-isoxazolecarboxylate, ethyl 3-[2-(2,4-dichlorobenzoyl)oxyethoxy]-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylate, ethyl 3-[2-(2,4-dichlorobenzoyloxy)ethoxy]-5-[3-(trifluoromethyl)benzamido]-1,2-oxazole-4-carboxylate, ethyl3-[2-(2,4-dichlorobenzoyloxy)ethoxy]-5-[3-(trifluoromethyl)benzamido]-1,2-oxazole-4-carboxylate
| Molecular Formula | C23H17Cl2F3N2O7 |
|---|---|
| Molecular Weight | 560.04 g/mol |
| LogP | 5.665 |
| Topological Polar Surface Area | 116.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 560.0365 |
| Heavy Atoms | 37 |
| Complexity | 1311.7322 |
Chemical Identifiers
| CAS Number | 303997-13-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(ON=C1OCCOC(=O)C2=C(C=C(C=C2)Cl)Cl)NC(=O)C3=CC(=CC=C3)C(F)(F)F |
Product Overview
12E-918 (CAS 303997-13-9), with molecular formula C23H17Cl2F3N2O7 and molecular weight 560.04 g/mol. IUPAC: ethyl 3-[2-(2,4-dichlorobenzoyl)oxyethoxy]-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylate.
Chemical Property Profile of 12E-918
Property Insights of 12E-918
The XLogP value of 5.665 indicates that 12E-918 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 12E-918. Following Lipinski's Rule of Five, 12E-918 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12E-918?
The CAS number of 12E-918 is 303997-13-9.
What is the molecular formula of 12E-918?
The molecular formula of 12E-918 is C23H17Cl2F3N2O7.
What is the molecular weight of 12E-918?
The molecular weight of 12E-918 is 560.04 g/mol.
Where can I buy 12E-918?
You can request a quote for 12E-918 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12E-918?
Yes, KEHONG BIO provides custom synthesis services for 12E-918 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.