Bionet1_002094
TL;DR: Bionet1_002094 (CAS 337920-02-2) is a chemical compound with molecular formula C17H21N5O6 and molecular weight 391.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1'-(4-nitrophenyl)spiro[3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carbohydrazide
Also Known As: Bionet1_002094, 10H-900, [4,5-Bis-(hydroxymethyl)-4,5-dihydroisoxazole-3-carboxylic acid hydrazide][1-(4-nitrophenyl)piperid-4-one]acetal, 1'-(4-nitrophenyl)spiro[3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carbohydrazide, 1'-(4-nitrophenyl)-3a,4,8,8a-tetrahydrospiro[[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carbohydrazide
| Molecular Formula | C17H21N5O6 |
|---|---|
| Molecular Weight | 391.15 g/mol |
| LogP | 0.299 |
| Topological Polar Surface Area | 141.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.14917 |
| Heavy Atoms | 28 |
| Complexity | 789.7326 |
Chemical Identifiers
| CAS Number | 337920-02-2 |
|---|---|
| SMILES | C1CN(CCC12OCC3C(CO2)ON=C3C(=O)NN)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
Bionet1_002094 (CAS 337920-02-2), with molecular formula C17H21N5O6 and molecular weight 391.15 g/mol. IUPAC: 1'-(4-nitrophenyl)spiro[3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carbohydrazide.
Chemical Property Profile of Bionet1_002094
Property Insights of Bionet1_002094
The XLogP value of 0.299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_002094. The TPSA of 141.55 Ų indicates high polarity, suggesting Bionet1_002094 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bionet1_002094 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bionet1_002094?
The CAS number of Bionet1_002094 is 337920-02-2.
What is the molecular formula of Bionet1_002094?
The molecular formula of Bionet1_002094 is C17H21N5O6.
What is the molecular weight of Bionet1_002094?
The molecular weight of Bionet1_002094 is 391.15 g/mol.
Where can I buy Bionet1_002094?
You can request a quote for Bionet1_002094 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002094?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002094 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.