Ethyl 2,3-dibromo-3-(4-methoxyphenyl)propanoate
TL;DR: Ethyl 2,3-dibromo-3-(4-methoxyphenyl)propanoate (CAS 157019-58-4) is a chemical compound with molecular formula C12H14Br2O3 and molecular weight 363.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,3-dibromo-3-(4-methoxyphenyl)propanoate
Also Known As: ethyl 2,3-dibromo-3-(4-methoxy)phenylpropionate, ethyl 2,3-dibromo-3-(4-methoxyphenyl)propanoate
| Molecular Formula | C12H14Br2O3 |
|---|---|
| Molecular Weight | 363.93 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.93097 |
| Heavy Atoms | 17 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 157019-58-4 |
|---|---|
| SMILES | CCOC(=O)C(C(C1=CC=C(C=C1)OC)Br)Br |
| InChIKey | NTNCAHZZKFXIAU-UHFFFAOYSA-N |
Product Overview
Ethyl 2,3-dibromo-3-(4-methoxyphenyl)propanoate (CAS 157019-58-4), with molecular formula C12H14Br2O3 and molecular weight 363.93 g/mol. IUPAC: ethyl 2,3-dibromo-3-(4-methoxyphenyl)propanoate.
Chemical Property Profile of Ethyl 2,3-dibromo-3-(4-methoxyphenyl)propanoate
Property Insights of Ethyl 2,3-dibromo-3-(4-methoxyphenyl)propanoate
The XLogP value of 3.6 indicates that Ethyl 2,3-dibromo-3-(4-methoxyphenyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Ethyl 2,3-dibromo-3-(4-methoxyphenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,3-dibromo-3-(4-methoxyphenyl)propanoate 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 Ethyl 2,3-dibromo-3-(4-methoxyphenyl)propanoate?
The CAS number of Ethyl 2,3-dibromo-3-(4-methoxyphenyl)propanoate is 157019-58-4.
What is the molecular formula of Ethyl 2,3-dibromo-3-(4-methoxyphenyl)propanoate?
The molecular formula of Ethyl 2,3-dibromo-3-(4-methoxyphenyl)propanoate is C12H14Br2O3.
What is the molecular weight of Ethyl 2,3-dibromo-3-(4-methoxyphenyl)propanoate?
The molecular weight of Ethyl 2,3-dibromo-3-(4-methoxyphenyl)propanoate is 363.93 g/mol.
Where can I buy Ethyl 2,3-dibromo-3-(4-methoxyphenyl)propanoate?
You can request a quote for Ethyl 2,3-dibromo-3-(4-methoxyphenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,3-dibromo-3-(4-methoxyphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,3-dibromo-3-(4-methoxyphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.