1,4-Naphthoquinone, 4a,5,8,8a-tetrahydro-6-methyl-
TL;DR: 1,4-Naphthoquinone, 4a,5,8,8a-tetrahydro-6-methyl- (CAS 34199-22-9) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
Also Known As: 1,4-Naphthoquinone, 4a,5,8,8a-tetrahydro-6-methyl-, 6-methyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione, 1, 4a,5,8,8a-tetrahydro-6-methyl-, 6-Methyl-4a,5,8,8a-tetrahydro-1,4-naphthoquinone, 6-Methyl-4a,5,8,8a-tetrahydro-naphtho-1,4-chinon
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 34199-22-9 |
|---|---|
| SMILES | CC1=CCC2C(C1)C(=O)C=CC2=O |
| InChIKey | NHJJSOMKTLLJIX-UHFFFAOYSA-N |
Product Overview
1,4-Naphthoquinone, 4a,5,8,8a-tetrahydro-6-methyl- (CAS 34199-22-9), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: 6-methyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthoquinone, 4a,5,8,8a-tetrahydro-6-methyl-
Property Insights of 1,4-Naphthoquinone, 4a,5,8,8a-tetrahydro-6-methyl-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Naphthoquinone, 4a,5,8,8a-tetrahydro-6-methyl-. With a topological polar surface area (TPSA) of 34.1 Ų, 1,4-Naphthoquinone, 4a,5,8,8a-tetrahydro-6-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthoquinone, 4a,5,8,8a-tetrahydro-6-methyl- 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 1,4-Naphthoquinone, 4a,5,8,8a-tetrahydro-6-methyl-?
The CAS number of 1,4-Naphthoquinone, 4a,5,8,8a-tetrahydro-6-methyl- is 34199-22-9.
What is the molecular formula of 1,4-Naphthoquinone, 4a,5,8,8a-tetrahydro-6-methyl-?
The molecular formula of 1,4-Naphthoquinone, 4a,5,8,8a-tetrahydro-6-methyl- is C11H12O2.
What is the molecular weight of 1,4-Naphthoquinone, 4a,5,8,8a-tetrahydro-6-methyl-?
The molecular weight of 1,4-Naphthoquinone, 4a,5,8,8a-tetrahydro-6-methyl- is 176.08 g/mol.
Where can I buy 1,4-Naphthoquinone, 4a,5,8,8a-tetrahydro-6-methyl-?
You can request a quote for 1,4-Naphthoquinone, 4a,5,8,8a-tetrahydro-6-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Naphthoquinone, 4a,5,8,8a-tetrahydro-6-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthoquinone, 4a,5,8,8a-tetrahydro-6-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.