1-溴-2,5-二甲氧基三甲苯
TL;DR: 1-溴-2,5-二甲氧基三甲苯 (CAS 69821-05-2) is a chemical compound with molecular formula C11H15BrO2 and molecular weight 258.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-溴-2,5-二甲氧基三甲苯
1-bromo-2,5-dimethoxy-3,4,6-trimethylbenzene
Also Known As: 1-bromo-2,5-dimethoxy-3,4,6-trimethylbenzene, 2,5-dimethoxy-3,4,6-trimethyl-bromobenzene, Benzene, 1-bromo-2,5-dimethoxy-3,4,6-trimethyl-, J3.672.503F, 2-bromo-3,5,6-trimethyl-1,4-dimethoxybenzene
| Molecular Formula | C11H15BrO2 |
|---|---|
| Molecular Weight | 258.03 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.02554 |
| Heavy Atoms | 14 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 69821-05-2 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1OC)C)Br)OC)C |
| InChIKey | RLBDOGTWMRAXSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-溴-2,5-二甲氧基三甲苯 (CAS 69821-05-2), with molecular formula C11H15BrO2 and molecular weight 258.03 g/mol. IUPAC: 1-bromo-2,5-dimethoxy-3,4,6-trimethylbenzene.
Chemical Property Profile of 1-溴-2,5-二甲氧基三甲苯
Property Insights of 1-溴-2,5-二甲氧基三甲苯
The XLogP value of 3.6 indicates that 1-溴-2,5-二甲氧基三甲苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1-溴-2,5-二甲氧基三甲苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-溴-2,5-二甲氧基三甲苯 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 1-溴-2,5-二甲氧基三甲苯?
The CAS number of 1-溴-2,5-二甲氧基三甲苯 is 69821-05-2.
What is the molecular formula of 1-溴-2,5-二甲氧基三甲苯?
The molecular formula of 1-溴-2,5-二甲氧基三甲苯 is C11H15BrO2.
What is the molecular weight of 1-溴-2,5-二甲氧基三甲苯?
The molecular weight of 1-溴-2,5-二甲氧基三甲苯 is 258.03 g/mol.
Where can I buy 1-溴-2,5-二甲氧基三甲苯?
You can request a quote for 1-溴-2,5-二甲氧基三甲苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-溴-2,5-二甲氧基三甲苯?
Yes, KEHONG BIO provides custom synthesis services for 1-溴-2,5-二甲氧基三甲苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.