![phenyl(5a,6,6a,7a-tetrahydro[1]benzoxireno[4,3,2-cd]indol-4(5H)-yl)methanone structure](/static/products/3989/39890-59-0.webp)
phenyl(5a,6,6a,7a-tetrahydro[1]benzoxireno[4,3,2-cd]indol-4(5H)-yl)methanone
TL;DR: phenyl(5a,6,6a,7a-tetrahydro[1]benzoxireno[4,3,2-cd]indol-4(5H)-yl)methanone (CAS 39890-59-0) is a chemical compound with molecular formula C18H15NO2 and molecular weight 277.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-oxa-3-azatetracyclo[6.4.1.04,13.09,11]trideca-4,6,8(13)-trien-3-yl(phenyl)methanone
Also Known As: 1-benzoyl-4,5-epoxy-1,2,2a,3,4,5-hexahydrobenzindole, 1-benzoyl-4,5-epoxy-1,2,2a,3,4,5-hexahydrobenz[cd]indole, phenyl(5a,6,6a,7a-tetrahydro[1]benzoxireno[4,3,2-cd]indol-4(5H)-yl)methanone
| Molecular Formula | C18H15NO2 |
|---|---|
| Molecular Weight | 277.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 277.1103 |
| Heavy Atoms | 21 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 39890-59-0 |
|---|---|
| SMILES | C1C2CN(C3=CC=CC(=C23)C4C1O4)C(=O)C5=CC=CC=C5 |
| InChIKey | GQKGAFVCSGNPJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
phenyl(5a,6,6a,7a-tetrahydro[1]benzoxireno[4,3,2-cd]indol-4(5H)-yl)methanone (CAS 39890-59-0), with molecular formula C18H15NO2 and molecular weight 277.11 g/mol. IUPAC: 10-oxa-3-azatetracyclo[6.4.1.04,13.09,11]trideca-4,6,8(13)-trien-3-yl(phenyl)methanone.
Chemical Property Profile of phenyl(5a,6,6a,7a-tetrahydro[1]benzoxireno[4,3,2-cd]indol-4(5H)-yl)methanone
Property Insights of phenyl(5a,6,6a,7a-tetrahydro[1]benzoxireno[4,3,2-cd]indol-4(5H)-yl)methanone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for phenyl(5a,6,6a,7a-tetrahydro[1]benzoxireno[4,3,2-cd]indol-4(5H)-yl)methanone. With a topological polar surface area (TPSA) of 32.8 Ų, phenyl(5a,6,6a,7a-tetrahydro[1]benzoxireno[4,3,2-cd]indol-4(5H)-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, phenyl(5a,6,6a,7a-tetrahydro[1]benzoxireno[4,3,2-cd]indol-4(5H)-yl)methanone 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 phenyl(5a,6,6a,7a-tetrahydro[1]benzoxireno[4,3,2-cd]indol-4(5H)-yl)methanone?
The CAS number of phenyl(5a,6,6a,7a-tetrahydro[1]benzoxireno[4,3,2-cd]indol-4(5H)-yl)methanone is 39890-59-0.
What is the molecular formula of phenyl(5a,6,6a,7a-tetrahydro[1]benzoxireno[4,3,2-cd]indol-4(5H)-yl)methanone?
The molecular formula of phenyl(5a,6,6a,7a-tetrahydro[1]benzoxireno[4,3,2-cd]indol-4(5H)-yl)methanone is C18H15NO2.
What is the molecular weight of phenyl(5a,6,6a,7a-tetrahydro[1]benzoxireno[4,3,2-cd]indol-4(5H)-yl)methanone?
The molecular weight of phenyl(5a,6,6a,7a-tetrahydro[1]benzoxireno[4,3,2-cd]indol-4(5H)-yl)methanone is 277.11 g/mol.
Where can I buy phenyl(5a,6,6a,7a-tetrahydro[1]benzoxireno[4,3,2-cd]indol-4(5H)-yl)methanone?
You can request a quote for phenyl(5a,6,6a,7a-tetrahydro[1]benzoxireno[4,3,2-cd]indol-4(5H)-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for phenyl(5a,6,6a,7a-tetrahydro[1]benzoxireno[4,3,2-cd]indol-4(5H)-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for phenyl(5a,6,6a,7a-tetrahydro[1]benzoxireno[4,3,2-cd]indol-4(5H)-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.