1-Bromo-5-tert-butyl-2,3-dimethoxybenzene
TL;DR: 1-Bromo-5-tert-butyl-2,3-dimethoxybenzene (CAS 372157-06-7) is a chemical compound with molecular formula C12H17BrO2 and molecular weight 272.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-5-tert-butyl-2,3-dimethoxybenzene
Also Known As: 1-bromo-5-tert-butyl-2,3-dimethoxybenzene, 1-bromo-5-(tert-butyl)-2,3-dimethoxybenzene
| Molecular Formula | C12H17BrO2 |
|---|---|
| Molecular Weight | 272.04 g/mol |
| LogP | 3.7638 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.0412 |
| Heavy Atoms | 15 |
| Complexity | 353.37512 |
Chemical Identifiers
| CAS Number | 372157-06-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)Br)OC)OC |
Product Overview
1-Bromo-5-tert-butyl-2,3-dimethoxybenzene (CAS 372157-06-7), with molecular formula C12H17BrO2 and molecular weight 272.04 g/mol. IUPAC: 1-bromo-5-tert-butyl-2,3-dimethoxybenzene.
Chemical Property Profile of 1-Bromo-5-tert-butyl-2,3-dimethoxybenzene
Property Insights of 1-Bromo-5-tert-butyl-2,3-dimethoxybenzene
The XLogP value of 3.7638 indicates that 1-Bromo-5-tert-butyl-2,3-dimethoxybenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.46 Ų, 1-Bromo-5-tert-butyl-2,3-dimethoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-5-tert-butyl-2,3-dimethoxybenzene 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-Bromo-5-tert-butyl-2,3-dimethoxybenzene?
The CAS number of 1-Bromo-5-tert-butyl-2,3-dimethoxybenzene is 372157-06-7.
What is the molecular formula of 1-Bromo-5-tert-butyl-2,3-dimethoxybenzene?
The molecular formula of 1-Bromo-5-tert-butyl-2,3-dimethoxybenzene is C12H17BrO2.
What is the molecular weight of 1-Bromo-5-tert-butyl-2,3-dimethoxybenzene?
The molecular weight of 1-Bromo-5-tert-butyl-2,3-dimethoxybenzene is 272.04 g/mol.
Where can I buy 1-Bromo-5-tert-butyl-2,3-dimethoxybenzene?
You can request a quote for 1-Bromo-5-tert-butyl-2,3-dimethoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-5-tert-butyl-2,3-dimethoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-5-tert-butyl-2,3-dimethoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.