![[4-Acetyloxy-2,3-bis(bromomethyl)phenyl] acetate structure](/static/products/6618/6618-67-3.webp)
[4-Acetyloxy-2,3-bis(bromomethyl)phenyl] acetate
TL;DR: [4-Acetyloxy-2,3-bis(bromomethyl)phenyl] acetate (CAS 6618-67-3) is a chemical compound with molecular formula C12H12Br2O4 and molecular weight 377.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-acetyloxy-2,3-bis(bromomethyl)phenyl] acetate
Also Known As: [4-acetyloxy-2,3-bis(bromomethyl)phenyl] acetate|2,3-Bis-(brommethyl)-hydrochinon-diacetat|2,3-Bis(bromomethyl)-1,4-phenylene diacetate
| Molecular Formula | C12H12Br2O4 |
|---|---|
| Molecular Weight | 377.91 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 377.91022 |
| Heavy Atoms | 18 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 6618-67-3 |
|---|---|
| SMILES | CC(=O)OC1=C(C(=C(C=C1)OC(=O)C)CBr)CBr |
| InChIKey | GNAWRMSVTTZFPO-UHFFFAOYSA-N |
Product Overview
[4-Acetyloxy-2,3-bis(bromomethyl)phenyl] acetate (CAS 6618-67-3), with molecular formula C12H12Br2O4 and molecular weight 377.91 g/mol. IUPAC: [4-acetyloxy-2,3-bis(bromomethyl)phenyl] acetate.
Chemical Property Profile of [4-Acetyloxy-2,3-bis(bromomethyl)phenyl] acetate
Property Insights of [4-Acetyloxy-2,3-bis(bromomethyl)phenyl] acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-Acetyloxy-2,3-bis(bromomethyl)phenyl] acetate. With a topological polar surface area (TPSA) of 52.6 Ų, [4-Acetyloxy-2,3-bis(bromomethyl)phenyl] acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-Acetyloxy-2,3-bis(bromomethyl)phenyl] acetate has 0 hydrogen bond donor(s) and 4 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 [4-Acetyloxy-2,3-bis(bromomethyl)phenyl] acetate?
The CAS number of [4-Acetyloxy-2,3-bis(bromomethyl)phenyl] acetate is 6618-67-3.
What is the molecular formula of [4-Acetyloxy-2,3-bis(bromomethyl)phenyl] acetate?
The molecular formula of [4-Acetyloxy-2,3-bis(bromomethyl)phenyl] acetate is C12H12Br2O4.
What is the molecular weight of [4-Acetyloxy-2,3-bis(bromomethyl)phenyl] acetate?
The molecular weight of [4-Acetyloxy-2,3-bis(bromomethyl)phenyl] acetate is 377.91 g/mol.
Where can I buy [4-Acetyloxy-2,3-bis(bromomethyl)phenyl] acetate?
You can request a quote for [4-Acetyloxy-2,3-bis(bromomethyl)phenyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-Acetyloxy-2,3-bis(bromomethyl)phenyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [4-Acetyloxy-2,3-bis(bromomethyl)phenyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.