2-Bromo-8-methoxy-6-methyl-1,4-naphthoquinone
TL;DR: 2-Bromo-8-methoxy-6-methyl-1,4-naphthoquinone (CAS 160465-98-5) is a chemical compound with molecular formula C12H9BrO3 and molecular weight 279.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-8-methoxy-6-methylnaphthalene-1,4-dione
Also Known As: 2-bromo-8-methoxy-6-methyl-1,4-naphthoquinone, 2-Bromo-8-methoxy-6-methylnaphthoquinone, NCI60_021238, 2-Bromo-6-methyl-8-methoxynaphthalene-1,4-dione, 2-bromo-8-methoxy-6-methylnaphthalene-1,4-dione
| Molecular Formula | C12H9BrO3 |
|---|---|
| Molecular Weight | 279.97 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.9735 |
| Heavy Atoms | 16 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 160465-98-5 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)OC)C(=O)C(=CC2=O)Br |
| InChIKey | HFDAFGDBMLSVEX-UHFFFAOYSA-N |
Product Overview
2-Bromo-8-methoxy-6-methyl-1,4-naphthoquinone (CAS 160465-98-5), with molecular formula C12H9BrO3 and molecular weight 279.97 g/mol. IUPAC: 2-bromo-8-methoxy-6-methylnaphthalene-1,4-dione.
Chemical Property Profile of 2-Bromo-8-methoxy-6-methyl-1,4-naphthoquinone
Property Insights of 2-Bromo-8-methoxy-6-methyl-1,4-naphthoquinone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-8-methoxy-6-methyl-1,4-naphthoquinone. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Bromo-8-methoxy-6-methyl-1,4-naphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-8-methoxy-6-methyl-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-Bromo-8-methoxy-6-methyl-1,4-naphthoquinone?
The CAS number of 2-Bromo-8-methoxy-6-methyl-1,4-naphthoquinone is 160465-98-5.
What is the molecular formula of 2-Bromo-8-methoxy-6-methyl-1,4-naphthoquinone?
The molecular formula of 2-Bromo-8-methoxy-6-methyl-1,4-naphthoquinone is C12H9BrO3.
What is the molecular weight of 2-Bromo-8-methoxy-6-methyl-1,4-naphthoquinone?
The molecular weight of 2-Bromo-8-methoxy-6-methyl-1,4-naphthoquinone is 279.97 g/mol.
Where can I buy 2-Bromo-8-methoxy-6-methyl-1,4-naphthoquinone?
You can request a quote for 2-Bromo-8-methoxy-6-methyl-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-Bromo-8-methoxy-6-methyl-1,4-naphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-8-methoxy-6-methyl-1,4-naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.