11H-926
TL;DR: 11H-926 (CAS 303153-01-7) is a chemical compound with molecular formula C18H19F3N6O8 and molecular weight 504.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1'-[2,6-dinitro-4-(trifluoromethyl)phenyl]spiro[3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carbohydrazide
Also Known As: 11H-926, 1'-[2,6-dinitro-4-(trifluoromethyl)phenyl]spiro[3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carbohydrazide, 4,5-Bis(hydroxymethyl)-3-hydrazido-4,5-dihydroisoxazole-1(2,6-dinitro-4-trifluoromethylphenyl)piperid-4-one acetal, 1'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3a,4,8,8a-tetrahydrospiro[[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carbohydrazide
| Molecular Formula | C18H19F3N6O8 |
|---|---|
| Molecular Weight | 504.12 g/mol |
| LogP | 1.226 |
| Topological Polar Surface Area | 184.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 504.12164 |
| Heavy Atoms | 35 |
| Complexity | 1053.4836 |
Chemical Identifiers
| CAS Number | 303153-01-7 |
|---|---|
| SMILES | C1CN(CCC12OCC3C(CO2)ON=C3C(=O)NN)C4=C(C=C(C=C4[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
Product Overview
11H-926 (CAS 303153-01-7), with molecular formula C18H19F3N6O8 and molecular weight 504.12 g/mol. IUPAC: 1'-[2,6-dinitro-4-(trifluoromethyl)phenyl]spiro[3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carbohydrazide.
Chemical Property Profile of 11H-926
Property Insights of 11H-926
The XLogP value of 1.226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11H-926. The TPSA of 184.69 Ų indicates high polarity, suggesting 11H-926 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 11H-926 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11H-926?
The CAS number of 11H-926 is 303153-01-7.
What is the molecular formula of 11H-926?
The molecular formula of 11H-926 is C18H19F3N6O8.
What is the molecular weight of 11H-926?
The molecular weight of 11H-926 is 504.12 g/mol.
Where can I buy 11H-926?
You can request a quote for 11H-926 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11H-926?
Yes, KEHONG BIO provides custom synthesis services for 11H-926 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.