1K-904
TL;DR: 1K-904 (CAS 477864-85-0) is a chemical compound with molecular formula C17H18ClF3N4O4 and molecular weight 434.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
Also Known As: 1K-904, ethyl 5-({4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}carbonyl)-4,5-dihydro-3-isoxazolecarboxylate, ethyl 5-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylate, ethyl 5-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl}-4,5-dihydro-1,2-oxazole-3-carboxylate, ethyl5-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl}-4,5-dihydro-1,2-oxazole-3-carboxylate
| Molecular Formula | C17H18ClF3N4O4 |
|---|---|
| Molecular Weight | 434.10 g/mol |
| LogP | 2.1104 |
| Topological Polar Surface Area | 84.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.09686 |
| Heavy Atoms | 29 |
| Complexity | 825.3863 |
Chemical Identifiers
| CAS Number | 477864-85-0 |
|---|---|
| SMILES | CCOC(=O)C1=NOC(C1)C(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
1K-904 (CAS 477864-85-0), with molecular formula C17H18ClF3N4O4 and molecular weight 434.10 g/mol. IUPAC: ethyl 5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylate.
Chemical Property Profile of 1K-904
Property Insights of 1K-904
The XLogP value of 2.1104 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1K-904. The TPSA of 84.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 1K-904. Following Lipinski's Rule of Five, 1K-904 has 0 hydrogen bond donor(s) and 7 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 1K-904?
The CAS number of 1K-904 is 477864-85-0.
What is the molecular formula of 1K-904?
The molecular formula of 1K-904 is C17H18ClF3N4O4.
What is the molecular weight of 1K-904?
The molecular weight of 1K-904 is 434.10 g/mol.
Where can I buy 1K-904?
You can request a quote for 1K-904 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1K-904?
Yes, KEHONG BIO provides custom synthesis services for 1K-904 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.