7-alpha,8-alpha-Epoxy-2,3,7,8,9,9a-beta-5,6-dimethoxy-1-methyl-1H-benzo(de)chinolin
TL;DR: 7-alpha,8-alpha-Epoxy-2,3,7,8,9,9a-beta-5,6-dimethoxy-1-methyl-1H-benzo(de)chinolin (CAS 41829-07-6) is a chemical compound with molecular formula C15H19NO3 and molecular weight 261.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,10S,12R)-7,8-dimethoxy-2-methyl-11-oxa-2-azatetracyclo[7.4.1.05,14.010,12]tetradeca-5,7,9(14)-triene
Also Known As: 7-alpha,8-alpha-Epoxy-2,3,7,8,9,9a-beta-5,6-dimethoxy-1-methyl-1H-benzo(de)chinolin, 4H-Benz(de)oxireno(g)quinoline, 5,6,6a,7,7a,8a-hexahydro-1,2-dimethoxy-6-methyl-, (6a-alpha,7a-alpha,8a-alpha)-, 1,2-Dimethoxy-6-methyl-5,6,6a,7,7a,8a-hexahydro-4H-benzo[de]oxireno[g]quinoline, (6aS,7aR,8aS)-1,2-Dimethoxy-6-methyl-5,6,6a,7,7a,8a-hexahydro-4H-benzo[de]oxireno[g]quinoline, BRN 4915870
| Molecular Formula | C15H19NO3 |
|---|---|
| Molecular Weight | 261.14 g/mol |
| LogP | 2.0764 |
| Topological Polar Surface Area | 34.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.1365 |
| Heavy Atoms | 19 |
| Complexity | 542.6825 |
Chemical Identifiers
| CAS Number | 41829-07-6 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2[C@@H]1C[C@@H]4[C@H]3O4)OC)OC |
Product Overview
7-alpha,8-alpha-Epoxy-2,3,7,8,9,9a-beta-5,6-dimethoxy-1-methyl-1H-benzo(de)chinolin (CAS 41829-07-6), with molecular formula C15H19NO3 and molecular weight 261.14 g/mol. IUPAC: (1S,10S,12R)-7,8-dimethoxy-2-methyl-11-oxa-2-azatetracyclo[7.4.1.05,14.010,12]tetradeca-5,7,9(14)-triene.
Chemical Property Profile of 7-alpha,8-alpha-Epoxy-2,3,7,8,9,9a-beta-5,6-dimethoxy-1-methyl-1H-benzo(de)chinolin
Property Insights of 7-alpha,8-alpha-Epoxy-2,3,7,8,9,9a-beta-5,6-dimethoxy-1-methyl-1H-benzo(de)chinolin
The XLogP value of 2.0764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-alpha,8-alpha-Epoxy-2,3,7,8,9,9a-beta-5,6-dimethoxy-1-methyl-1H-benzo(de)chinolin. With a topological polar surface area (TPSA) of 34.23 Ų, 7-alpha,8-alpha-Epoxy-2,3,7,8,9,9a-beta-5,6-dimethoxy-1-methyl-1H-benzo(de)chinolin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-alpha,8-alpha-Epoxy-2,3,7,8,9,9a-beta-5,6-dimethoxy-1-methyl-1H-benzo(de)chinolin 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 7-alpha,8-alpha-Epoxy-2,3,7,8,9,9a-beta-5,6-dimethoxy-1-methyl-1H-benzo(de)chinolin?
The CAS number of 7-alpha,8-alpha-Epoxy-2,3,7,8,9,9a-beta-5,6-dimethoxy-1-methyl-1H-benzo(de)chinolin is 41829-07-6.
What is the molecular formula of 7-alpha,8-alpha-Epoxy-2,3,7,8,9,9a-beta-5,6-dimethoxy-1-methyl-1H-benzo(de)chinolin?
The molecular formula of 7-alpha,8-alpha-Epoxy-2,3,7,8,9,9a-beta-5,6-dimethoxy-1-methyl-1H-benzo(de)chinolin is C15H19NO3.
What is the molecular weight of 7-alpha,8-alpha-Epoxy-2,3,7,8,9,9a-beta-5,6-dimethoxy-1-methyl-1H-benzo(de)chinolin?
The molecular weight of 7-alpha,8-alpha-Epoxy-2,3,7,8,9,9a-beta-5,6-dimethoxy-1-methyl-1H-benzo(de)chinolin is 261.14 g/mol.
Where can I buy 7-alpha,8-alpha-Epoxy-2,3,7,8,9,9a-beta-5,6-dimethoxy-1-methyl-1H-benzo(de)chinolin?
You can request a quote for 7-alpha,8-alpha-Epoxy-2,3,7,8,9,9a-beta-5,6-dimethoxy-1-methyl-1H-benzo(de)chinolin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-alpha,8-alpha-Epoxy-2,3,7,8,9,9a-beta-5,6-dimethoxy-1-methyl-1H-benzo(de)chinolin?
Yes, KEHONG BIO provides custom synthesis services for 7-alpha,8-alpha-Epoxy-2,3,7,8,9,9a-beta-5,6-dimethoxy-1-methyl-1H-benzo(de)chinolin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.