2,3-Dibromopropyl phenoxyacetate
TL;DR: 2,3-Dibromopropyl phenoxyacetate (CAS 104199-20-4) is a chemical compound with molecular formula C11H12Br2O3 and molecular weight 349.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dibromopropyl 2-phenoxyacetate
Also Known As: 2,3-dibromopropyl phenoxyacetate, 2,3-dibromopropyl 2-phenoxyacetate
| Molecular Formula | C11H12Br2O3 |
|---|---|
| Molecular Weight | 349.92 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 349.9153 |
| Heavy Atoms | 16 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 104199-20-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC(=O)OCC(CBr)Br |
| InChIKey | QFFFMOXFOFHBOX-UHFFFAOYSA-N |
Product Overview
2,3-Dibromopropyl phenoxyacetate (CAS 104199-20-4), with molecular formula C11H12Br2O3 and molecular weight 349.92 g/mol. IUPAC: 2,3-dibromopropyl 2-phenoxyacetate.
Chemical Property Profile of 2,3-Dibromopropyl phenoxyacetate
Property Insights of 2,3-Dibromopropyl phenoxyacetate
The XLogP value of 3.4 indicates that 2,3-Dibromopropyl phenoxyacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2,3-Dibromopropyl phenoxyacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dibromopropyl phenoxyacetate 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 2,3-Dibromopropyl phenoxyacetate?
The CAS number of 2,3-Dibromopropyl phenoxyacetate is 104199-20-4.
What is the molecular formula of 2,3-Dibromopropyl phenoxyacetate?
The molecular formula of 2,3-Dibromopropyl phenoxyacetate is C11H12Br2O3.
What is the molecular weight of 2,3-Dibromopropyl phenoxyacetate?
The molecular weight of 2,3-Dibromopropyl phenoxyacetate is 349.92 g/mol.
Where can I buy 2,3-Dibromopropyl phenoxyacetate?
You can request a quote for 2,3-Dibromopropyl phenoxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dibromopropyl phenoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dibromopropyl phenoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.