![5,6-Dimethoxytricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-3-one structure](/static/products/7475/7475-50-5.webp)
5,6-Dimethoxytricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-3-one
TL;DR: 5,6-Dimethoxytricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-3-one (CAS 7475-50-5) is a chemical compound with molecular formula C15H18O3 and molecular weight 246.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethoxytricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-3-one
Also Known As: 3,4-dimethoxy-1,6,7,8,9,9a-hexahydro-benz[cd]azulen-2-one, 3,4-Dimethoxy-1,6,7,8,9,9a-hexahydro-2H-benzo[cd]azulen-2-one, 5,6-Dimethoxytricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-3-one
| Molecular Formula | C15H18O3 |
|---|---|
| Molecular Weight | 246.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.1256 |
| Heavy Atoms | 18 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 7475-50-5 |
|---|---|
| SMILES | COC1=C(C2=C3C(CCCCC3=C1)CC2=O)OC |
| InChIKey | ZFCNALZRVUNHJH-UHFFFAOYSA-N |
Product Overview
5,6-Dimethoxytricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-3-one (CAS 7475-50-5), with molecular formula C15H18O3 and molecular weight 246.13 g/mol. IUPAC: 5,6-dimethoxytricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-3-one.
Chemical Property Profile of 5,6-Dimethoxytricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-3-one
Property Insights of 5,6-Dimethoxytricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-3-one
The XLogP value of 3.1 indicates that 5,6-Dimethoxytricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 5,6-Dimethoxytricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-Dimethoxytricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-3-one has 0 hydrogen bond donor(s) and 3 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 5,6-Dimethoxytricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-3-one?
The CAS number of 5,6-Dimethoxytricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-3-one is 7475-50-5.
What is the molecular formula of 5,6-Dimethoxytricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-3-one?
The molecular formula of 5,6-Dimethoxytricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-3-one is C15H18O3.
What is the molecular weight of 5,6-Dimethoxytricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-3-one?
The molecular weight of 5,6-Dimethoxytricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-3-one is 246.13 g/mol.
Where can I buy 5,6-Dimethoxytricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-3-one?
You can request a quote for 5,6-Dimethoxytricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Dimethoxytricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dimethoxytricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.