5N-051
TL;DR: 5N-051 (CAS 338963-12-5) is a chemical compound with molecular formula C28H26F3N5O6 and molecular weight 585.18 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]-N-(4-methylphenyl)-3-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide
Also Known As: 5N-051, 8-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-(4-methylphenyl)-3-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide, 8-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-(4-methylphenyl)-2-phenyl-4-oxa-1,8-diazaspiro[4.5]decane-1-carboxamide
| Molecular Formula | C28H26F3N5O6 |
|---|---|
| Molecular Weight | 585.18 g/mol |
| LogP | 6.43232 |
| Topological Polar Surface Area | 131.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 585.18353 |
| Heavy Atoms | 42 |
| Complexity | 1473.6602 |
Chemical Identifiers
| CAS Number | 338963-12-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)N2C(COC23CCN(CC3)C4=C(C=C(C=C4[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C5=CC=CC=C5 |
Product Overview
5N-051 (CAS 338963-12-5), with molecular formula C28H26F3N5O6 and molecular weight 585.18 g/mol. IUPAC: 8-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-(4-methylphenyl)-3-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide.
Chemical Property Profile of 5N-051
Property Insights of 5N-051
The XLogP value of 6.43232 indicates that 5N-051 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 5N-051. Following Lipinski's Rule of Five, 5N-051 has 1 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-051?
The CAS number of 5N-051 is 338963-12-5.
What is the molecular formula of 5N-051?
The molecular formula of 5N-051 is C28H26F3N5O6.
What is the molecular weight of 5N-051?
The molecular weight of 5N-051 is 585.18 g/mol.
Where can I buy 5N-051?
You can request a quote for 5N-051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5N-051?
Yes, KEHONG BIO provides custom synthesis services for 5N-051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.