3-Bromo-2-methoxy-5-methylbenzo-1,4-quinone
TL;DR: 3-Bromo-2-methoxy-5-methylbenzo-1,4-quinone (CAS 30435-38-2) is a chemical compound with molecular formula C8H7BrO3 and molecular weight 229.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-2-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
Also Known As: 3-bromo-2-methoxy-5-methylbenzo-1,4-quinone, 2-methoxy-3-bromo-5-methylparabenzoquinone, 2-bromo-3-methoxy-6-methyl-para-benzoquinone, J1.680.134H, 2-Bromo-3-methoxy-6-methyl-1,4-benzoquinone
| Molecular Formula | C8H7BrO3 |
|---|---|
| Molecular Weight | 229.96 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 | 229.95786 |
| Heavy Atoms | 12 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 30435-38-2 |
|---|---|
| SMILES | CC1=CC(=O)C(=C(C1=O)Br)OC |
| InChIKey | OFVXODICMZPYTP-UHFFFAOYSA-N |
Product Overview
3-Bromo-2-methoxy-5-methylbenzo-1,4-quinone (CAS 30435-38-2), with molecular formula C8H7BrO3 and molecular weight 229.96 g/mol. IUPAC: 3-bromo-2-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 3-Bromo-2-methoxy-5-methylbenzo-1,4-quinone
Property Insights of 3-Bromo-2-methoxy-5-methylbenzo-1,4-quinone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-2-methoxy-5-methylbenzo-1,4-quinone. With a topological polar surface area (TPSA) of 43.4 Ų, 3-Bromo-2-methoxy-5-methylbenzo-1,4-quinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-2-methoxy-5-methylbenzo-1,4-quinone 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 3-Bromo-2-methoxy-5-methylbenzo-1,4-quinone?
The CAS number of 3-Bromo-2-methoxy-5-methylbenzo-1,4-quinone is 30435-38-2.
What is the molecular formula of 3-Bromo-2-methoxy-5-methylbenzo-1,4-quinone?
The molecular formula of 3-Bromo-2-methoxy-5-methylbenzo-1,4-quinone is C8H7BrO3.
What is the molecular weight of 3-Bromo-2-methoxy-5-methylbenzo-1,4-quinone?
The molecular weight of 3-Bromo-2-methoxy-5-methylbenzo-1,4-quinone is 229.96 g/mol.
Where can I buy 3-Bromo-2-methoxy-5-methylbenzo-1,4-quinone?
You can request a quote for 3-Bromo-2-methoxy-5-methylbenzo-1,4-quinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-2-methoxy-5-methylbenzo-1,4-quinone?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2-methoxy-5-methylbenzo-1,4-quinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.