5N-061
TL;DR: 5N-061 (CAS 338963-22-7) is a chemical compound with molecular formula C27H22F4N4O6 and molecular weight 574.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3-phenyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(4-fluorophenyl)methanone
Also Known As: 5N-061, {8-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3-phenyl-1-oxa-4,8-diazaspiro[4.5]dec-4-yl}(4-fluorophenyl)methanone, [8-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3-phenyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(4-fluorophenyl)methanone, [8-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2-phenyl-4-oxa-1,8-diazaspiro[4.5]decan-1-yl]-(4-fluorophenyl)methanone, 8-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(4-fluorobenzoyl)-3-phenyl-1-oxa-4,8-diazaspiro[4.5]decane
| Molecular Formula | C27H22F4N4O6 |
|---|---|
| Molecular Weight | 574.15 g/mol |
| LogP | 5.8713 |
| Topological Polar Surface Area | 119.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 574.1475 |
| Heavy Atoms | 41 |
| Complexity | 1456.8861 |
Chemical Identifiers
| CAS Number | 338963-22-7 |
|---|---|
| SMILES | C1CN(CCC12N(C(CO2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F)C5=C(C=C(C=C5[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
Product Overview
5N-061 (CAS 338963-22-7), with molecular formula C27H22F4N4O6 and molecular weight 574.15 g/mol. IUPAC: [8-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3-phenyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(4-fluorophenyl)methanone.
Chemical Property Profile of 5N-061
Property Insights of 5N-061
The XLogP value of 5.8713 indicates that 5N-061 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 5N-061. Following Lipinski's Rule of Five, 5N-061 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5N-061?
The CAS number of 5N-061 is 338963-22-7.
What is the molecular formula of 5N-061?
The molecular formula of 5N-061 is C27H22F4N4O6.
What is the molecular weight of 5N-061?
The molecular weight of 5N-061 is 574.15 g/mol.
Where can I buy 5N-061?
You can request a quote for 5N-061 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5N-061?
Yes, KEHONG BIO provides custom synthesis services for 5N-061 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.