9F-002
TL;DR: 9F-002 (CAS 338978-05-5) is a chemical compound with molecular formula C23H13Cl2F3N2O4 and molecular weight 508.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
Also Known As: 9F-002, 3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylate, [3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate, 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate, 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
| Molecular Formula | C23H13Cl2F3N2O4 |
|---|---|
| Molecular Weight | 508.02 g/mol |
| LogP | 7.38212 |
| Topological Polar Surface Area | 74.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 508.02045 |
| Heavy Atoms | 34 |
| Complexity | 1372.5801 |
Chemical Identifiers
| CAS Number | 338978-05-5 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OC3=CC=CC(=C3)OC4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
9F-002 (CAS 338978-05-5), with molecular formula C23H13Cl2F3N2O4 and molecular weight 508.02 g/mol. IUPAC: [3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate.
Chemical Property Profile of 9F-002
Property Insights of 9F-002
The XLogP value of 7.38212 indicates that 9F-002 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 9F-002. Following Lipinski's Rule of Five, 9F-002 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9F-002?
The CAS number of 9F-002 is 338978-05-5.
What is the molecular formula of 9F-002?
The molecular formula of 9F-002 is C23H13Cl2F3N2O4.
What is the molecular weight of 9F-002?
The molecular weight of 9F-002 is 508.02 g/mol.
Where can I buy 9F-002?
You can request a quote for 9F-002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9F-002?
Yes, KEHONG BIO provides custom synthesis services for 9F-002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.