J1.716.822C
TL;DR: J1.716.822C (CAS 338961-99-2) is a chemical compound with molecular formula C26H24ClF4N7O5S and molecular weight 657.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[5-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]-3-phenylurea
Also Known As: J1.716.822C, 5L-920, 2-((5-(((2-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)amino)ethyl)((4-fluorophenyl)sulfonyl)amino)methyl)-4,5-dihydro-3-isoxazolyl)carbonyl)-N-phenyl-1-hydrazinecarboxamide, 5-{[N-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)4-fluorobenzenesulfonamido]methyl}-N-[(phenylcarbamoyl)amino]-4,5-dihydro-1,2-oxazole-3-carboxamide, 1-[[5-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]-3-phenylurea
| Molecular Formula | C26H24ClF4N7O5S |
|---|---|
| Molecular Weight | 657.12 g/mol |
| LogP | 3.9935 |
| Topological Polar Surface Area | 154.12 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 657.1184 |
| Heavy Atoms | 44 |
| Complexity | 1627.9193 |
Chemical Identifiers
| CAS Number | 338961-99-2 |
|---|---|
| SMILES | C1C(ON=C1C(=O)NNC(=O)NC2=CC=CC=C2)CN(CCNC3=C(C=C(C=N3)C(F)(F)F)Cl)S(=O)(=O)C4=CC=C(C=C4)F |
Product Overview
J1.716.822C (CAS 338961-99-2), with molecular formula C26H24ClF4N7O5S and molecular weight 657.12 g/mol. IUPAC: 1-[[5-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]-3-phenylurea.
Chemical Property Profile of J1.716.822C
Property Insights of J1.716.822C
The XLogP value of 3.9935 indicates that J1.716.822C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.12 Ų indicates high polarity, suggesting J1.716.822C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J1.716.822C has 4 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 J1.716.822C?
The CAS number of J1.716.822C is 338961-99-2.
What is the molecular formula of J1.716.822C?
The molecular formula of J1.716.822C is C26H24ClF4N7O5S.
What is the molecular weight of J1.716.822C?
The molecular weight of J1.716.822C is 657.12 g/mol.
Where can I buy J1.716.822C?
You can request a quote for J1.716.822C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.716.822C?
Yes, KEHONG BIO provides custom synthesis services for J1.716.822C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.