1,4-Naphthoquinone, 2-methoxy-3-methyl-
TL;DR: 1,4-Naphthoquinone, 2-methoxy-3-methyl- (CAS 5416-18-2) is a chemical compound with molecular formula C12H10O3 and molecular weight 202.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-3-methylnaphthalene-1,4-dione
Also Known As: 2-Methoxy-3-methyl-1,4-naphthoquinone, 2-methoxy-3-methylnaphthalene-1,4-dione, 2-Methylmethoxy-1,4-naphthoquinone, 2-methoxy-3-methylnaphthoquinone, 1,4-Naphthoquinone, 2-methoxy-3-methyl-
| Molecular Formula | C12H10O3 |
|---|---|
| Molecular Weight | 202.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.06299 |
| Heavy Atoms | 15 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 5416-18-2 |
|---|---|
| SMILES | CC1=C(C(=O)C2=CC=CC=C2C1=O)OC |
| InChIKey | CNZJAOOYWYLTEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Naphthoquinone, 2-methoxy-3-methyl- (CAS 5416-18-2), with molecular formula C12H10O3 and molecular weight 202.06 g/mol. IUPAC: 2-methoxy-3-methylnaphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthoquinone, 2-methoxy-3-methyl-
Property Insights of 1,4-Naphthoquinone, 2-methoxy-3-methyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Naphthoquinone, 2-methoxy-3-methyl-. With a topological polar surface area (TPSA) of 43.4 Ų, 1,4-Naphthoquinone, 2-methoxy-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthoquinone, 2-methoxy-3-methyl- 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-Naphthoquinone, 2-methoxy-3-methyl-?
The CAS number of 1,4-Naphthoquinone, 2-methoxy-3-methyl- is 5416-18-2.
What is the molecular formula of 1,4-Naphthoquinone, 2-methoxy-3-methyl-?
The molecular formula of 1,4-Naphthoquinone, 2-methoxy-3-methyl- is C12H10O3.
What is the molecular weight of 1,4-Naphthoquinone, 2-methoxy-3-methyl-?
The molecular weight of 1,4-Naphthoquinone, 2-methoxy-3-methyl- is 202.06 g/mol.
Where can I buy 1,4-Naphthoquinone, 2-methoxy-3-methyl-?
You can request a quote for 1,4-Naphthoquinone, 2-methoxy-3-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, 2-methoxy-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthoquinone, 2-methoxy-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.