![5-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-N-[(4-fluorophenyl)methylideneamino]-4,5-dihydro-1,2-oxazole-3-carboxamide structure](/static/products/3389/338961-96-9.webp)
5-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-N-[(4-fluorophenyl)methylideneamino]-4,5-dihydro-1,2-oxazole-3-carboxamide
TL;DR: 5-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-N-[(4-fluorophenyl)methylideneamino]-4,5-dihydro-1,2-oxazole-3-carboxamide (CAS 338961-96-9) is a chemical compound with molecular formula C26H22ClF5N6O4S and molecular weight 644.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-N-[(4-fluorophenyl)methylideneamino]-4,5-dihydro-1,2-oxazole-3-carboxamide
Also Known As: 5-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-N-[(4-fluorophenyl)methylideneamino]-4,5-dihydro-1,2-oxazole-3-carboxamide, N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-4-fluoro-N-{[3-({2-[(4-fluorophenyl)methylene]hydrazino}carbonyl)-4,5-dihydro-5-isoxazolyl]methyl}benzenesulfonamide
| Molecular Formula | C26H22ClF5N6O4S |
|---|---|
| Molecular Weight | 644.10 g/mol |
| LogP | 4.43 |
| Topological Polar Surface Area | 125.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 644.1032 |
| Heavy Atoms | 43 |
| Complexity | 1620.4205 |
Chemical Identifiers
| CAS Number | 338961-96-9 |
|---|---|
| SMILES | C1C(ON=C1C(=O)NN=CC2=CC=C(C=C2)F)CN(CCNC3=C(C=C(C=N3)C(F)(F)F)Cl)S(=O)(=O)C4=CC=C(C=C4)F |
Product Overview
5-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-N-[(4-fluorophenyl)methylideneamino]-4,5-dihydro-1,2-oxazole-3-carboxamide (CAS 338961-96-9), with molecular formula C26H22ClF5N6O4S and molecular weight 644.10 g/mol. IUPAC: 5-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-N-[(4-fluorophenyl)methylideneamino]-4,5-dihydro-1,2-oxazole-3-carboxamide.
Chemical Property Profile of 5-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-N-[(4-fluorophenyl)methylideneamino]-4,5-dihydro-1,2-oxazole-3-carboxamide
Property Insights of 5-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-N-[(4-fluorophenyl)methylideneamino]-4,5-dihydro-1,2-oxazole-3-carboxamide
The XLogP value of 4.43 indicates that 5-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-N-[(4-fluorophenyl)methylideneamino]-4,5-dihydro-1,2-oxazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-N-[(4-fluorophenyl)methylideneamino]-4,5-dihydro-1,2-oxazole-3-carboxamide. Following Lipinski's Rule of Five, 5-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-N-[(4-fluorophenyl)methylideneamino]-4,5-dihydro-1,2-oxazole-3-carboxamide has 2 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 5-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-N-[(4-fluorophenyl)methylideneamino]-4,5-dihydro-1,2-oxazole-3-carboxamide?
The CAS number of 5-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-N-[(4-fluorophenyl)methylideneamino]-4,5-dihydro-1,2-oxazole-3-carboxamide is 338961-96-9.
What is the molecular formula of 5-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-N-[(4-fluorophenyl)methylideneamino]-4,5-dihydro-1,2-oxazole-3-carboxamide?
The molecular formula of 5-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-N-[(4-fluorophenyl)methylideneamino]-4,5-dihydro-1,2-oxazole-3-carboxamide is C26H22ClF5N6O4S.
What is the molecular weight of 5-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-N-[(4-fluorophenyl)methylideneamino]-4,5-dihydro-1,2-oxazole-3-carboxamide?
The molecular weight of 5-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-N-[(4-fluorophenyl)methylideneamino]-4,5-dihydro-1,2-oxazole-3-carboxamide is 644.10 g/mol.
Where can I buy 5-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-N-[(4-fluorophenyl)methylideneamino]-4,5-dihydro-1,2-oxazole-3-carboxamide?
You can request a quote for 5-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-N-[(4-fluorophenyl)methylideneamino]-4,5-dihydro-1,2-oxazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-N-[(4-fluorophenyl)methylideneamino]-4,5-dihydro-1,2-oxazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-N-[(4-fluorophenyl)methylideneamino]-4,5-dihydro-1,2-oxazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.