2-Bromo-5-methoxycyclohexa-2,5-diene-1,4-dione
TL;DR: 2-Bromo-5-methoxycyclohexa-2,5-diene-1,4-dione (CAS 23030-65-1) is a chemical compound with molecular formula C7H5BrO3 and molecular weight 215.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-5-methoxycyclohexa-2,5-diene-1,4-dione
Also Known As: 2-bromo-5-methoxycyclohexa-2,5-diene-1,4-dione, 1, 2-bromo-5-methoxy-, 2,5-Cyclohexadiene-1,4-dione, 2-bromo-5-methoxy-, 2-Bromo-5-methoxybenzoquinone, 2-bromo-5-methoxy-1,4-benzoquinone
| Molecular Formula | C7H5BrO3 |
|---|---|
| Molecular Weight | 215.94 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.94221 |
| Heavy Atoms | 11 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 23030-65-1 |
|---|---|
| SMILES | COC1=CC(=O)C(=CC1=O)Br |
| InChIKey | YNEPNZYQQQVSNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-5-methoxycyclohexa-2,5-diene-1,4-dione (CAS 23030-65-1), with molecular formula C7H5BrO3 and molecular weight 215.94 g/mol. IUPAC: 2-bromo-5-methoxycyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2-Bromo-5-methoxycyclohexa-2,5-diene-1,4-dione
Property Insights of 2-Bromo-5-methoxycyclohexa-2,5-diene-1,4-dione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-5-methoxycyclohexa-2,5-diene-1,4-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Bromo-5-methoxycyclohexa-2,5-diene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-5-methoxycyclohexa-2,5-diene-1,4-dione 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-5-methoxycyclohexa-2,5-diene-1,4-dione?
The CAS number of 2-Bromo-5-methoxycyclohexa-2,5-diene-1,4-dione is 23030-65-1.
What is the molecular formula of 2-Bromo-5-methoxycyclohexa-2,5-diene-1,4-dione?
The molecular formula of 2-Bromo-5-methoxycyclohexa-2,5-diene-1,4-dione is C7H5BrO3.
What is the molecular weight of 2-Bromo-5-methoxycyclohexa-2,5-diene-1,4-dione?
The molecular weight of 2-Bromo-5-methoxycyclohexa-2,5-diene-1,4-dione is 215.94 g/mol.
Where can I buy 2-Bromo-5-methoxycyclohexa-2,5-diene-1,4-dione?
You can request a quote for 2-Bromo-5-methoxycyclohexa-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 2-Bromo-5-methoxycyclohexa-2,5-diene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-5-methoxycyclohexa-2,5-diene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.