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Methyl 3a,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylate
TL;DR: Methyl 3a,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylate (CAS 104149-57-7) is a chemical compound with molecular formula C11H17NO3 and molecular weight 211.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,2]oxazole-3-carboxylate
Also Known As: Methyl 3a,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylate, methyl 3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,2]oxazole-3-carboxylate, pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6(4h)-one, 3alpha,4,5,6,7,8,9-octahydro-cycloocta[d]isoxazole-3-carboxylic acid methyl ester, 1-(14,23,43,113-pentaoxolo[2,1]octaoxocan-1-yl)-14-trioxidan-1-one
| Molecular Formula | C11H17NO3 |
|---|---|
| Molecular Weight | 211.12 g/mol |
| LogP | 1.8846 |
| Topological Polar Surface Area | 47.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.12085 |
| Heavy Atoms | 15 |
| Complexity | 275.0066 |
Chemical Identifiers
| CAS Number | 104149-57-7 |
|---|---|
| SMILES | COC(=O)C1=NOC2C1CCCCCC2 |
Product Overview
Methyl 3a,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylate (CAS 104149-57-7), with molecular formula C11H17NO3 and molecular weight 211.12 g/mol. IUPAC: methyl 3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,2]oxazole-3-carboxylate.
Chemical Property Profile of Methyl 3a,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylate
Property Insights of Methyl 3a,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylate
The XLogP value of 1.8846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3a,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylate. With a topological polar surface area (TPSA) of 47.89 Ų, Methyl 3a,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3a,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylate has 0 hydrogen bond donor(s) and 4 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 Methyl 3a,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylate?
The CAS number of Methyl 3a,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylate is 104149-57-7.
What is the molecular formula of Methyl 3a,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylate?
The molecular formula of Methyl 3a,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylate is C11H17NO3.
What is the molecular weight of Methyl 3a,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylate?
The molecular weight of Methyl 3a,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylate is 211.12 g/mol.
Where can I buy Methyl 3a,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylate?
You can request a quote for Methyl 3a,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3a,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3a,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.