Bionet1_002098
TL;DR: Bionet1_002098 (CAS 303152-98-9) is a chemical compound with molecular formula C17H22N4O5 and molecular weight 362.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1'-pyrimidin-2-ylspiro[3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carboxylate
Also Known As: Bionet1_002098, [3-Ethoxycarbonyl-4,5-bis(hydroxymethyl)-4,5-dihydroisoxazole][1-(2-pyrimidyl)-4-piperidone]ketal, ethyl 1'-pyrimidin-2-ylspiro[3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carboxylate, ethyl 1'-(pyrimidin-2-yl)-3a,4,8,8a-tetrahydrospiro[[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carboxylate, ethyl 1'-pyrimidin-2-ylspiro[3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d]isoxazole-6,4'-piperidine]-3-carboxylate
| Molecular Formula | C17H22N4O5 |
|---|---|
| Molecular Weight | 362.16 g/mol |
| LogP | 0.754 |
| Topological Polar Surface Area | 95.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.15903 |
| Heavy Atoms | 26 |
| Complexity | 674.9906 |
Chemical Identifiers
| CAS Number | 303152-98-9 |
|---|---|
| SMILES | CCOC(=O)C1=NOC2C1COC3(CCN(CC3)C4=NC=CC=N4)OC2 |
Product Overview
Bionet1_002098 (CAS 303152-98-9), with molecular formula C17H22N4O5 and molecular weight 362.16 g/mol. IUPAC: ethyl 1'-pyrimidin-2-ylspiro[3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carboxylate.
Chemical Property Profile of Bionet1_002098
Property Insights of Bionet1_002098
The XLogP value of 0.754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_002098. The TPSA of 95.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_002098. Following Lipinski's Rule of Five, Bionet1_002098 has 0 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_002098?
The CAS number of Bionet1_002098 is 303152-98-9.
What is the molecular formula of Bionet1_002098?
The molecular formula of Bionet1_002098 is C17H22N4O5.
What is the molecular weight of Bionet1_002098?
The molecular weight of Bionet1_002098 is 362.16 g/mol.
Where can I buy Bionet1_002098?
You can request a quote for Bionet1_002098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002098?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.