Bionet1_002128
TL;DR: Bionet1_002128 (CAS 339098-72-5) is a chemical compound with molecular formula C18H21N3O6 and molecular weight 375.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1'-(4-nitrophenyl)spiro[3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-yl]ethanone
Also Known As: Bionet1_002128, 8H-913, 3-Acetyl-4,5-bis(hydroxymethyl)-4,5-dihydroisoxazole-N-(4-nitophenyl)piperid-4-one acetal, 1-[1'-(4-nitrophenyl)spiro[3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-yl]ethanone, 1-(1-(4-Nitrophenyl)-3a',4',8',8a'-tetrahydrospiro[piperidine-4,6'-[1,3]dioxepino[5,6-d]isoxazol]-3'-yl)ethan-1-one
| Molecular Formula | C18H21N3O6 |
|---|---|
| Molecular Weight | 375.14 g/mol |
| LogP | 1.8981 |
| Topological Polar Surface Area | 103.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.14304 |
| Heavy Atoms | 27 |
| Complexity | 769.8066 |
Chemical Identifiers
| CAS Number | 339098-72-5 |
|---|---|
| SMILES | CC(=O)C1=NOC2C1COC3(CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])OC2 |
Product Overview
Bionet1_002128 (CAS 339098-72-5), with molecular formula C18H21N3O6 and molecular weight 375.14 g/mol. IUPAC: 1-[1'-(4-nitrophenyl)spiro[3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-yl]ethanone.
Chemical Property Profile of Bionet1_002128
Property Insights of Bionet1_002128
The XLogP value of 1.8981 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_002128. The TPSA of 103.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_002128. Following Lipinski's Rule of Five, Bionet1_002128 has 0 hydrogen bond donor(s) and 8 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_002128?
The CAS number of Bionet1_002128 is 339098-72-5.
What is the molecular formula of Bionet1_002128?
The molecular formula of Bionet1_002128 is C18H21N3O6.
What is the molecular weight of Bionet1_002128?
The molecular weight of Bionet1_002128 is 375.14 g/mol.
Where can I buy Bionet1_002128?
You can request a quote for Bionet1_002128 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002128?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002128 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.