8R-0845
TL;DR: 8R-0845 (CAS 444151-87-5) is a chemical compound with molecular formula C22H21Cl2F6N5O2 and molecular weight 571.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-[4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]acetamide
Also Known As: 8R-0845, 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(4-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl}piperazino)ethyl]acetamide, 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[2-[4-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetyl]piperazin-1-yl]ethyl]acetamide, 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[2-(4-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetyl}piperazin-1-yl)ethyl]acetamide
| Molecular Formula | C22H21Cl2F6N5O2 |
|---|---|
| Molecular Weight | 571.10 g/mol |
| LogP | 3.8666 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 571.09766 |
| Heavy Atoms | 37 |
| Complexity | 1134.765 |
Chemical Identifiers
| CAS Number | 444151-87-5 |
|---|---|
| SMILES | C1CN(CCN1CCNC(=O)CC2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)CC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
8R-0845 (CAS 444151-87-5), with molecular formula C22H21Cl2F6N5O2 and molecular weight 571.10 g/mol. IUPAC: 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-[4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]acetamide.
Chemical Property Profile of 8R-0845
Property Insights of 8R-0845
The XLogP value of 3.8666 indicates that 8R-0845 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 8R-0845. Following Lipinski's Rule of Five, 8R-0845 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 8R-0845?
The CAS number of 8R-0845 is 444151-87-5.
What is the molecular formula of 8R-0845?
The molecular formula of 8R-0845 is C22H21Cl2F6N5O2.
What is the molecular weight of 8R-0845?
The molecular weight of 8R-0845 is 571.10 g/mol.
Where can I buy 8R-0845?
You can request a quote for 8R-0845 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8R-0845?
Yes, KEHONG BIO provides custom synthesis services for 8R-0845 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.