3-Bromo-2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione
TL;DR: 3-Bromo-2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione (CAS 6970-85-0) is a chemical compound with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
Also Known As: 3-Brom-thymochinon, 3-bromo-2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione, 2,5-bromo-3-methyl-6-isopropyl-p-benzoquinone, 3-bromo-5-isopropyl-2-methyl-1,4-benzoquinone, 3-Bromo-5-isopropyl-2-methylbenzo-1,4-quinone
| Molecular Formula | C10H11BrO2 |
|---|---|
| Molecular Weight | 241.99 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.99425 |
| Heavy Atoms | 13 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 6970-85-0 |
|---|---|
| SMILES | CC1=C(C(=O)C(=CC1=O)C(C)C)Br |
| InChIKey | YZZZPPRWAWILLY-UHFFFAOYSA-N |
Product Overview
3-Bromo-2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione (CAS 6970-85-0), with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol. IUPAC: 3-bromo-2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 3-Bromo-2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione
Property Insights of 3-Bromo-2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 3-Bromo-2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione 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 3-Bromo-2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione?
The CAS number of 3-Bromo-2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione is 6970-85-0.
What is the molecular formula of 3-Bromo-2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione?
The molecular formula of 3-Bromo-2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione is C10H11BrO2.
What is the molecular weight of 3-Bromo-2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione?
The molecular weight of 3-Bromo-2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione is 241.99 g/mol.
Where can I buy 3-Bromo-2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione?
You can request a quote for 3-Bromo-2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione 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-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.