Ethyl 4-(4-bromophenyl)-4-oxobutanoate
TL;DR: Ethyl 4-(4-bromophenyl)-4-oxobutanoate (CAS 30913-87-2) is a chemical compound with molecular formula C12H13BrO3 and molecular weight 284.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-bromophenyl)-4-oxobutanoate
Also Known As: Ethyl 4-(4-bromophenyl)-4-oxobutanoate, ETHYL 4-(4-BROMOPHENYL)-4-OXOBUTYRATE, 9793AD, Ethyl4-(4-bromophenyl)-4-oxobutanoate, 4- -4-OXO-BUTYRICACIDETHYLESTER
| Molecular Formula | C12H13BrO3 |
|---|---|
| Molecular Weight | 284.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.00482 |
| Heavy Atoms | 16 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 30913-87-2 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)C1=CC=C(C=C1)Br |
| InChIKey | VKPICHZTXSNYMN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-(4-bromophenyl)-4-oxobutanoate (CAS 30913-87-2), with molecular formula C12H13BrO3 and molecular weight 284.00 g/mol. IUPAC: ethyl 4-(4-bromophenyl)-4-oxobutanoate.
Chemical Property Profile of Ethyl 4-(4-bromophenyl)-4-oxobutanoate
Property Insights of Ethyl 4-(4-bromophenyl)-4-oxobutanoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(4-bromophenyl)-4-oxobutanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 4-(4-bromophenyl)-4-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(4-bromophenyl)-4-oxobutanoate 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 4-(4-bromophenyl)-4-oxobutanoate?
The CAS number of Ethyl 4-(4-bromophenyl)-4-oxobutanoate is 30913-87-2.
What is the molecular formula of Ethyl 4-(4-bromophenyl)-4-oxobutanoate?
The molecular formula of Ethyl 4-(4-bromophenyl)-4-oxobutanoate is C12H13BrO3.
What is the molecular weight of Ethyl 4-(4-bromophenyl)-4-oxobutanoate?
The molecular weight of Ethyl 4-(4-bromophenyl)-4-oxobutanoate is 284.00 g/mol.
Where can I buy Ethyl 4-(4-bromophenyl)-4-oxobutanoate?
You can request a quote for Ethyl 4-(4-bromophenyl)-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(4-bromophenyl)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4-bromophenyl)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.