9F-003
TL;DR: 9F-003 (CAS 338978-06-6) is a chemical compound with molecular formula C20H10ClF6NO3 and molecular weight 461.03 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-(trifluoromethyl)benzoate
Also Known As: 9F-003, [3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl] 3-(trifluoromethyl)benzoate, 3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl 3-(trifluoromethyl)benzenecarboxylate, 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl 3-(trifluoromethyl)benzoate, 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl3-(trifluoromethyl)benzoate
| Molecular Formula | C20H10ClF6NO3 |
|---|---|
| Molecular Weight | 461.03 g/mol |
| LogP | 6.7841 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 461.02533 |
| Heavy Atoms | 31 |
| Complexity | 1114.5547 |
Chemical Identifiers
| CAS Number | 338978-06-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(=O)OC2=CC=CC(=C2)OC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
9F-003 (CAS 338978-06-6), with molecular formula C20H10ClF6NO3 and molecular weight 461.03 g/mol. IUPAC: [3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 3-(trifluoromethyl)benzoate.
Chemical Property Profile of 9F-003
Property Insights of 9F-003
The XLogP value of 6.7841 indicates that 9F-003 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.42 Ų, 9F-003 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9F-003 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9F-003?
The CAS number of 9F-003 is 338978-06-6.
What is the molecular formula of 9F-003?
The molecular formula of 9F-003 is C20H10ClF6NO3.
What is the molecular weight of 9F-003?
The molecular weight of 9F-003 is 461.03 g/mol.
Where can I buy 9F-003?
You can request a quote for 9F-003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9F-003?
Yes, KEHONG BIO provides custom synthesis services for 9F-003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.