2-Methoxy-4A-methyl-4A,5,8,8A-tetrahydro-(1,4)naphthoquinone
TL;DR: 2-Methoxy-4A-methyl-4A,5,8,8A-tetrahydro-(1,4)naphthoquinone (CAS 13120-69-9) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-8a-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione
Also Known As: ghl.PD_Mitscher_leg0.1011, 2-methoxy-4a-methyl-4a,5,8,8a-tetrahydro-(1,4)naphthoquinone, 2-methoxy-4a-methyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione, 3-methoxy-8a-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione, 2-methoxy-4a-methyl-4a,5,8,8a-tetrahydro-1,4-naphthalenedione
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 13120-69-9 |
|---|---|
| SMILES | CC12CC=CCC1C(=O)C(=CC2=O)OC |
| InChIKey | BWRSBDNPEDAAMK-UHFFFAOYSA-N |
Product Overview
2-Methoxy-4A-methyl-4A,5,8,8A-tetrahydro-(1,4)naphthoquinone (CAS 13120-69-9), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: 3-methoxy-8a-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione.
Chemical Property Profile of 2-Methoxy-4A-methyl-4A,5,8,8A-tetrahydro-(1,4)naphthoquinone
Property Insights of 2-Methoxy-4A-methyl-4A,5,8,8A-tetrahydro-(1,4)naphthoquinone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-4A-methyl-4A,5,8,8A-tetrahydro-(1,4)naphthoquinone. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Methoxy-4A-methyl-4A,5,8,8A-tetrahydro-(1,4)naphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxy-4A-methyl-4A,5,8,8A-tetrahydro-(1,4)naphthoquinone 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 2-Methoxy-4A-methyl-4A,5,8,8A-tetrahydro-(1,4)naphthoquinone?
The CAS number of 2-Methoxy-4A-methyl-4A,5,8,8A-tetrahydro-(1,4)naphthoquinone is 13120-69-9.
What is the molecular formula of 2-Methoxy-4A-methyl-4A,5,8,8A-tetrahydro-(1,4)naphthoquinone?
The molecular formula of 2-Methoxy-4A-methyl-4A,5,8,8A-tetrahydro-(1,4)naphthoquinone is C12H14O3.
What is the molecular weight of 2-Methoxy-4A-methyl-4A,5,8,8A-tetrahydro-(1,4)naphthoquinone?
The molecular weight of 2-Methoxy-4A-methyl-4A,5,8,8A-tetrahydro-(1,4)naphthoquinone is 206.09 g/mol.
Where can I buy 2-Methoxy-4A-methyl-4A,5,8,8A-tetrahydro-(1,4)naphthoquinone?
You can request a quote for 2-Methoxy-4A-methyl-4A,5,8,8A-tetrahydro-(1,4)naphthoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-4A-methyl-4A,5,8,8A-tetrahydro-(1,4)naphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-4A-methyl-4A,5,8,8A-tetrahydro-(1,4)naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.