1-Bromo-2-(chloromethyl)-4,5-diethoxybenzene
TL;DR: 1-Bromo-2-(chloromethyl)-4,5-diethoxybenzene (CAS 851116-19-3) is a chemical compound with molecular formula C11H14BrClO2 and molecular weight 291.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-2-(chloromethyl)-4,5-diethoxybenzene
Also Known As: 1-bromo-2-(chloromethyl)-4,5-diethoxybenzene
| Molecular Formula | C11H14BrClO2 |
|---|---|
| Molecular Weight | 291.99 g/mol |
| LogP | 3.9853 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.98657 |
| Heavy Atoms | 15 |
| Complexity | 328.6091 |
Chemical Identifiers
| CAS Number | 851116-19-3 |
|---|---|
| SMILES | CCOC1=C(C=C(C(=C1)CCl)Br)OCC |
Product Overview
1-Bromo-2-(chloromethyl)-4,5-diethoxybenzene (CAS 851116-19-3), with molecular formula C11H14BrClO2 and molecular weight 291.99 g/mol. IUPAC: 1-bromo-2-(chloromethyl)-4,5-diethoxybenzene.
Chemical Property Profile of 1-Bromo-2-(chloromethyl)-4,5-diethoxybenzene
Property Insights of 1-Bromo-2-(chloromethyl)-4,5-diethoxybenzene
The XLogP value of 3.9853 indicates that 1-Bromo-2-(chloromethyl)-4,5-diethoxybenzene 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-2-(chloromethyl)-4,5-diethoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-2-(chloromethyl)-4,5-diethoxybenzene 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-2-(chloromethyl)-4,5-diethoxybenzene?
The CAS number of 1-Bromo-2-(chloromethyl)-4,5-diethoxybenzene is 851116-19-3.
What is the molecular formula of 1-Bromo-2-(chloromethyl)-4,5-diethoxybenzene?
The molecular formula of 1-Bromo-2-(chloromethyl)-4,5-diethoxybenzene is C11H14BrClO2.
What is the molecular weight of 1-Bromo-2-(chloromethyl)-4,5-diethoxybenzene?
The molecular weight of 1-Bromo-2-(chloromethyl)-4,5-diethoxybenzene is 291.99 g/mol.
Where can I buy 1-Bromo-2-(chloromethyl)-4,5-diethoxybenzene?
You can request a quote for 1-Bromo-2-(chloromethyl)-4,5-diethoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-2-(chloromethyl)-4,5-diethoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-2-(chloromethyl)-4,5-diethoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.