7N-805
TL;DR: 7N-805 (CAS 478067-90-2) is a chemical compound with molecular formula C21H14ClF3N2O3 and molecular weight 434.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carboxylate
Also Known As: 7N-805, ethyl 3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}pyrido[1,2-a]indole-10-carboxylate, ethyl 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxypyrido[1,2-a]indole-10-carboxylate, ethyl 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}pyrido[1,2-a]indole-10-carboxylate
| Molecular Formula | C21H14ClF3N2O3 |
|---|---|
| Molecular Weight | 434.06 g/mol |
| LogP | 6.1287 |
| Topological Polar Surface Area | 52.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.0645 |
| Heavy Atoms | 30 |
| Complexity | 1267.8052 |
Chemical Identifiers
| CAS Number | 478067-90-2 |
|---|---|
| SMILES | CCOC(=O)C1=C2C=CC=CN2C3=C1C=CC(=C3)OC4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
7N-805 (CAS 478067-90-2), with molecular formula C21H14ClF3N2O3 and molecular weight 434.06 g/mol. IUPAC: ethyl 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carboxylate.
Chemical Property Profile of 7N-805
Property Insights of 7N-805
The XLogP value of 6.1287 indicates that 7N-805 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.83 Ų, 7N-805 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7N-805 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 7N-805?
The CAS number of 7N-805 is 478067-90-2.
What is the molecular formula of 7N-805?
The molecular formula of 7N-805 is C21H14ClF3N2O3.
What is the molecular weight of 7N-805?
The molecular weight of 7N-805 is 434.06 g/mol.
Where can I buy 7N-805?
You can request a quote for 7N-805 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7N-805?
Yes, KEHONG BIO provides custom synthesis services for 7N-805 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.