1,4-Ethanonaphthalene-5,8-dione, 1,4,4a,8a-tetrahydro-1-methoxy-
TL;DR: 1,4-Ethanonaphthalene-5,8-dione, 1,4,4a,8a-tetrahydro-1-methoxy- (CAS 91910-07-5) is a chemical compound with molecular formula C13H14O3 and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione
Also Known As: ghl.PD_Mitscher_leg0.297, 1,4-Ethanonaphthalene-5,8-dione, 1,4,4a,8a-tetrahydro-1-methoxy-, 1-Methoxy-1,4,4a,8a-tetrahydro-1,4-ethanonaphthalene-5,8-dione, 1-methoxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione, 5-Methoxy-4a,5,8,8a-tetrahydro-5,8-ethanonaphthalene-1,4-dione
| Molecular Formula | C13H14O3 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.0943 |
| Heavy Atoms | 16 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 91910-07-5 |
|---|---|
| SMILES | COC12CCC(C=C1)C3C2C(=O)C=CC3=O |
| InChIKey | JTEWEOMDCJDQCW-UHFFFAOYSA-N |
Product Overview
1,4-Ethanonaphthalene-5,8-dione, 1,4,4a,8a-tetrahydro-1-methoxy- (CAS 91910-07-5), with molecular formula C13H14O3 and molecular weight 218.09 g/mol. IUPAC: 1-methoxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione.
Chemical Property Profile of 1,4-Ethanonaphthalene-5,8-dione, 1,4,4a,8a-tetrahydro-1-methoxy-
Property Insights of 1,4-Ethanonaphthalene-5,8-dione, 1,4,4a,8a-tetrahydro-1-methoxy-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Ethanonaphthalene-5,8-dione, 1,4,4a,8a-tetrahydro-1-methoxy-. With a topological polar surface area (TPSA) of 43.4 Ų, 1,4-Ethanonaphthalene-5,8-dione, 1,4,4a,8a-tetrahydro-1-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Ethanonaphthalene-5,8-dione, 1,4,4a,8a-tetrahydro-1-methoxy- 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 1,4-Ethanonaphthalene-5,8-dione, 1,4,4a,8a-tetrahydro-1-methoxy-?
The CAS number of 1,4-Ethanonaphthalene-5,8-dione, 1,4,4a,8a-tetrahydro-1-methoxy- is 91910-07-5.
What is the molecular formula of 1,4-Ethanonaphthalene-5,8-dione, 1,4,4a,8a-tetrahydro-1-methoxy-?
The molecular formula of 1,4-Ethanonaphthalene-5,8-dione, 1,4,4a,8a-tetrahydro-1-methoxy- is C13H14O3.
What is the molecular weight of 1,4-Ethanonaphthalene-5,8-dione, 1,4,4a,8a-tetrahydro-1-methoxy-?
The molecular weight of 1,4-Ethanonaphthalene-5,8-dione, 1,4,4a,8a-tetrahydro-1-methoxy- is 218.09 g/mol.
Where can I buy 1,4-Ethanonaphthalene-5,8-dione, 1,4,4a,8a-tetrahydro-1-methoxy-?
You can request a quote for 1,4-Ethanonaphthalene-5,8-dione, 1,4,4a,8a-tetrahydro-1-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Ethanonaphthalene-5,8-dione, 1,4,4a,8a-tetrahydro-1-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Ethanonaphthalene-5,8-dione, 1,4,4a,8a-tetrahydro-1-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.