4R-0835
TL;DR: 4R-0835 (CAS 866017-70-1) is a chemical compound with molecular formula C21H15Cl2F3N2O2 and molecular weight 454.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide
Also Known As: 4R-0835, N-(3-chloro-4-methylphenyl)-2-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)acetamide, N-(3-chloro-4-methylphenyl)-2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]acetamide, N-(3-chloro-4-methylphenyl)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)acetamide, N-(3-chloro-4-methyl-phenyl)-2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]acetamide
| Molecular Formula | C21H15Cl2F3N2O2 |
|---|---|
| Molecular Weight | 454.05 g/mol |
| LogP | 6.68912 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.04626 |
| Heavy Atoms | 30 |
| Complexity | 1070.8369 |
Chemical Identifiers
| CAS Number | 866017-70-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CC2=CC=C(C=C2)OC3=C(C=C(C=N3)C(F)(F)F)Cl)Cl |
Product Overview
4R-0835 (CAS 866017-70-1), with molecular formula C21H15Cl2F3N2O2 and molecular weight 454.05 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide.
Chemical Property Profile of 4R-0835
Property Insights of 4R-0835
The XLogP value of 6.68912 indicates that 4R-0835 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.22 Ų, 4R-0835 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4R-0835 has 1 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 4R-0835?
The CAS number of 4R-0835 is 866017-70-1.
What is the molecular formula of 4R-0835?
The molecular formula of 4R-0835 is C21H15Cl2F3N2O2.
What is the molecular weight of 4R-0835?
The molecular weight of 4R-0835 is 454.05 g/mol.
Where can I buy 4R-0835?
You can request a quote for 4R-0835 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4R-0835?
Yes, KEHONG BIO provides custom synthesis services for 4R-0835 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.