4J-918
TL;DR: 4J-918 (CAS 339276-35-6) is a chemical compound with molecular formula C20H17ClF6N4O4S and molecular weight 558.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-acetyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-3-(trifluoromethyl)benzenesulfonohydrazide
Also Known As: 4J-918, N-[(3-acetyl-4,5-dihydro-5-isoxazolyl)methyl]-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-3-(trifluoromethyl)benzenesulfonohydrazide, N-[(3-acetyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N'-methyl-3-(trifluoromethyl)benzene-1-sulfonohydrazide, N-[(3-acetyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N'-methyl-3-(trifluoromethyl)benzenesulfonohydrazide, 3-(Trifluoromethyl)benzenesulfonic acid 1-[(3-acetyl-4,5-dihydro-5-isoxazolyl)methyl]-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazide
| Molecular Formula | C20H17ClF6N4O4S |
|---|---|
| Molecular Weight | 558.06 g/mol |
| LogP | 4.5486 |
| Topological Polar Surface Area | 92.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 558.05634 |
| Heavy Atoms | 36 |
| Complexity | 1299.843 |
Chemical Identifiers
| CAS Number | 339276-35-6 |
|---|---|
| SMILES | CC(=O)C1=NOC(C1)CN(N(C)C2=C(C=C(C=N2)C(F)(F)F)Cl)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F |
Product Overview
4J-918 (CAS 339276-35-6), with molecular formula C20H17ClF6N4O4S and molecular weight 558.06 g/mol. IUPAC: N-[(3-acetyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-3-(trifluoromethyl)benzenesulfonohydrazide.
Chemical Property Profile of 4J-918
Property Insights of 4J-918
The XLogP value of 4.5486 indicates that 4J-918 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 4J-918. Following Lipinski's Rule of Five, 4J-918 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4J-918?
The CAS number of 4J-918 is 339276-35-6.
What is the molecular formula of 4J-918?
The molecular formula of 4J-918 is C20H17ClF6N4O4S.
What is the molecular weight of 4J-918?
The molecular weight of 4J-918 is 558.06 g/mol.
Where can I buy 4J-918?
You can request a quote for 4J-918 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4J-918?
Yes, KEHONG BIO provides custom synthesis services for 4J-918 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.