![8a-methyl-3-[(2-methylpropylamino)methyl]spiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one structure](/static/products/4579/4579-63-9.webp)
8a-methyl-3-[(2-methylpropylamino)methyl]spiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one
TL;DR: 8a-methyl-3-[(2-methylpropylamino)methyl]spiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one (CAS 4579-63-9) is a chemical compound with molecular formula C19H31NO3 and molecular weight 321.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8a-methyl-3-[(2-methylpropylamino)methyl]spiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one
Also Known As: 8a-methyl-3-[(2-methylpropylamino)methyl]spiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one, 8a-Methyl-3-{[(2-methylpropyl)amino]methyl}decahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
| Molecular Formula | C19H31NO3 |
|---|---|
| Molecular Weight | 321.23 g/mol |
| LogP | 2.759 |
| Topological Polar Surface Area | 50.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.2304 |
| Heavy Atoms | 23 |
| Complexity | 487.0064 |
Chemical Identifiers
| CAS Number | 4579-63-9 |
|---|---|
| SMILES | CC(C)CNCC1C2CC3C(CCCC34CO4)(CC2OC1=O)C |
Product Overview
8a-methyl-3-[(2-methylpropylamino)methyl]spiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one (CAS 4579-63-9), with molecular formula C19H31NO3 and molecular weight 321.23 g/mol. IUPAC: 8a-methyl-3-[(2-methylpropylamino)methyl]spiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one.
Chemical Property Profile of 8a-methyl-3-[(2-methylpropylamino)methyl]spiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one
Property Insights of 8a-methyl-3-[(2-methylpropylamino)methyl]spiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one
The XLogP value of 2.759 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8a-methyl-3-[(2-methylpropylamino)methyl]spiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one. With a topological polar surface area (TPSA) of 50.86 Ų, 8a-methyl-3-[(2-methylpropylamino)methyl]spiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8a-methyl-3-[(2-methylpropylamino)methyl]spiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one has 1 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 8a-methyl-3-[(2-methylpropylamino)methyl]spiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one?
The CAS number of 8a-methyl-3-[(2-methylpropylamino)methyl]spiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one is 4579-63-9.
What is the molecular formula of 8a-methyl-3-[(2-methylpropylamino)methyl]spiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one?
The molecular formula of 8a-methyl-3-[(2-methylpropylamino)methyl]spiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one is C19H31NO3.
What is the molecular weight of 8a-methyl-3-[(2-methylpropylamino)methyl]spiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one?
The molecular weight of 8a-methyl-3-[(2-methylpropylamino)methyl]spiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one is 321.23 g/mol.
Where can I buy 8a-methyl-3-[(2-methylpropylamino)methyl]spiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one?
You can request a quote for 8a-methyl-3-[(2-methylpropylamino)methyl]spiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8a-methyl-3-[(2-methylpropylamino)methyl]spiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one?
Yes, KEHONG BIO provides custom synthesis services for 8a-methyl-3-[(2-methylpropylamino)methyl]spiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.