2N-045
TL;DR: 2N-045 (CAS 338401-40-4) is a chemical compound with molecular formula C22H14Cl2F3NO2 and molecular weight 451.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chlorophenyl)cyclopropyl]-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone
Also Known As: 2N-045, [2-(4-chlorophenyl)cyclopropyl](4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)methanone, [2-(4-chlorophenyl)cyclopropyl]-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methanone, 3-chloro-2-{4-[2-(4-chlorophenyl)cyclopropanecarbonyl]phenoxy}-5-(trifluoromethyl)pyridine
| Molecular Formula | C22H14Cl2F3NO2 |
|---|---|
| Molecular Weight | 451.04 g/mol |
| LogP | 7.1859 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.03537 |
| Heavy Atoms | 30 |
| Complexity | 1083.032 |
Chemical Identifiers
| CAS Number | 338401-40-4 |
|---|---|
| SMILES | C1C(C1C(=O)C2=CC=C(C=C2)OC3=C(C=C(C=N3)C(F)(F)F)Cl)C4=CC=C(C=C4)Cl |
Product Overview
2N-045 (CAS 338401-40-4), with molecular formula C22H14Cl2F3NO2 and molecular weight 451.04 g/mol. IUPAC: [2-(4-chlorophenyl)cyclopropyl]-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone.
Chemical Property Profile of 2N-045
Property Insights of 2N-045
The XLogP value of 7.1859 indicates that 2N-045 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, 2N-045 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2N-045 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2N-045?
The CAS number of 2N-045 is 338401-40-4.
What is the molecular formula of 2N-045?
The molecular formula of 2N-045 is C22H14Cl2F3NO2.
What is the molecular weight of 2N-045?
The molecular weight of 2N-045 is 451.04 g/mol.
Where can I buy 2N-045?
You can request a quote for 2N-045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2N-045?
Yes, KEHONG BIO provides custom synthesis services for 2N-045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.