3a,6-Epoxy-3aH-isoindole, 1,2,3,6,7,7a-hexahydro-6-methyl-2-phenyl-
TL;DR: 3a,6-Epoxy-3aH-isoindole, 1,2,3,6,7,7a-hexahydro-6-methyl-2-phenyl- (CAS 71840-20-5) is a chemical compound with molecular formula C15H17NO and molecular weight 227.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-3-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene
Also Known As: 3a,6-Epoxy-3aH-isoindole, 1,2,3,6,7,7a-hexahydro-6-methyl-2-phenyl-, 1,2,3,6,7,7a-Hexahydro-6-methyl-2-phenyl-3a,6-epoxy-3aH-isoindole, 7-methyl-3-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene, 1,3,3a,6,7,7a-Hexahydro-6-methyl-2-phenyl-3a,6-epoxy-2H-isoindole
| Molecular Formula | C15H17NO |
|---|---|
| Molecular Weight | 227.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.13101 |
| Heavy Atoms | 17 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 71840-20-5 |
|---|---|
| SMILES | CC12CC3CN(CC3(O1)C=C2)C4=CC=CC=C4 |
| InChIKey | UKYAGPUDJMRSLC-UHFFFAOYSA-N |
Product Overview
3a,6-Epoxy-3aH-isoindole, 1,2,3,6,7,7a-hexahydro-6-methyl-2-phenyl- (CAS 71840-20-5), with molecular formula C15H17NO and molecular weight 227.13 g/mol. IUPAC: 7-methyl-3-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene.
Chemical Property Profile of 3a,6-Epoxy-3aH-isoindole, 1,2,3,6,7,7a-hexahydro-6-methyl-2-phenyl-
Property Insights of 3a,6-Epoxy-3aH-isoindole, 1,2,3,6,7,7a-hexahydro-6-methyl-2-phenyl-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3a,6-Epoxy-3aH-isoindole, 1,2,3,6,7,7a-hexahydro-6-methyl-2-phenyl-. With a topological polar surface area (TPSA) of 12.5 Ų, 3a,6-Epoxy-3aH-isoindole, 1,2,3,6,7,7a-hexahydro-6-methyl-2-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3a,6-Epoxy-3aH-isoindole, 1,2,3,6,7,7a-hexahydro-6-methyl-2-phenyl- has 0 hydrogen bond donor(s) and 2 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 3a,6-Epoxy-3aH-isoindole, 1,2,3,6,7,7a-hexahydro-6-methyl-2-phenyl-?
The CAS number of 3a,6-Epoxy-3aH-isoindole, 1,2,3,6,7,7a-hexahydro-6-methyl-2-phenyl- is 71840-20-5.
What is the molecular formula of 3a,6-Epoxy-3aH-isoindole, 1,2,3,6,7,7a-hexahydro-6-methyl-2-phenyl-?
The molecular formula of 3a,6-Epoxy-3aH-isoindole, 1,2,3,6,7,7a-hexahydro-6-methyl-2-phenyl- is C15H17NO.
What is the molecular weight of 3a,6-Epoxy-3aH-isoindole, 1,2,3,6,7,7a-hexahydro-6-methyl-2-phenyl-?
The molecular weight of 3a,6-Epoxy-3aH-isoindole, 1,2,3,6,7,7a-hexahydro-6-methyl-2-phenyl- is 227.13 g/mol.
Where can I buy 3a,6-Epoxy-3aH-isoindole, 1,2,3,6,7,7a-hexahydro-6-methyl-2-phenyl-?
You can request a quote for 3a,6-Epoxy-3aH-isoindole, 1,2,3,6,7,7a-hexahydro-6-methyl-2-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3a,6-Epoxy-3aH-isoindole, 1,2,3,6,7,7a-hexahydro-6-methyl-2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 3a,6-Epoxy-3aH-isoindole, 1,2,3,6,7,7a-hexahydro-6-methyl-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.