![1-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-1-ethanone N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazone structure](/static/products/3387/338772-44-4.webp)
1-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-1-ethanone N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazone
TL;DR: 1-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-1-ethanone N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazone (CAS 338772-44-4) is a chemical compound with molecular formula C21H13ClF4N4O and molecular weight 448.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
Also Known As: 1-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-1-ethanone N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazone, 3-chloro-N-[1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
| Molecular Formula | C21H13ClF4N4O |
|---|---|
| Molecular Weight | 448.07 g/mol |
| LogP | 6.5372 |
| Topological Polar Surface Area | 63.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.0714 |
| Heavy Atoms | 31 |
| Complexity | 1283.0247 |
Chemical Identifiers
| CAS Number | 338772-44-4 |
|---|---|
| SMILES | CC(=NNC1=C(C=C(C=N1)C(F)(F)F)Cl)C2=CC3=C(ON=C3C=C2)C4=CC=C(C=C4)F |
Product Overview
1-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-1-ethanone N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazone (CAS 338772-44-4), with molecular formula C21H13ClF4N4O and molecular weight 448.07 g/mol. IUPAC: 3-chloro-N-[1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine.
Chemical Property Profile of 1-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-1-ethanone N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazone
Property Insights of 1-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-1-ethanone N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazone
The XLogP value of 6.5372 indicates that 1-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-1-ethanone N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-1-ethanone N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazone. Following Lipinski's Rule of Five, 1-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-1-ethanone N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-1-ethanone N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazone?
The CAS number of 1-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-1-ethanone N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazone is 338772-44-4.
What is the molecular formula of 1-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-1-ethanone N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazone?
The molecular formula of 1-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-1-ethanone N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazone is C21H13ClF4N4O.
What is the molecular weight of 1-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-1-ethanone N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazone?
The molecular weight of 1-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-1-ethanone N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazone is 448.07 g/mol.
Where can I buy 1-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-1-ethanone N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazone?
You can request a quote for 1-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-1-ethanone N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-1-ethanone N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazone?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-1-ethanone N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.