Ethyl beta-oxo-alpha-phenylbenzenebutanoate
TL;DR: Ethyl beta-oxo-alpha-phenylbenzenebutanoate (CAS 2901-29-3) is a chemical compound with molecular formula C18H18O3 and molecular weight 282.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxo-2,4-diphenylbutanoate
Also Known As: ethyl 3-oxo-2,4-diphenylbutanoate, Ethyl alpha,gamma-diphenylacetoacetate, 2-Bromophenylacetonitrile, Maybridge3_004558, Ethyl 2,4-diphenylacetoacetate
| Molecular Formula | C18H18O3 |
|---|---|
| Molecular Weight | 282.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 282.12558 |
| Heavy Atoms | 21 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 2901-29-3 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=CC=C1)C(=O)CC2=CC=CC=C2 |
| InChIKey | GVNHSMZHSWFYMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl beta-oxo-alpha-phenylbenzenebutanoate (CAS 2901-29-3), with molecular formula C18H18O3 and molecular weight 282.13 g/mol. IUPAC: ethyl 3-oxo-2,4-diphenylbutanoate.
Chemical Property Profile of Ethyl beta-oxo-alpha-phenylbenzenebutanoate
Property Insights of Ethyl beta-oxo-alpha-phenylbenzenebutanoate
The XLogP value of 3.6 indicates that Ethyl beta-oxo-alpha-phenylbenzenebutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl beta-oxo-alpha-phenylbenzenebutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl beta-oxo-alpha-phenylbenzenebutanoate 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 beta-oxo-alpha-phenylbenzenebutanoate?
The CAS number of Ethyl beta-oxo-alpha-phenylbenzenebutanoate is 2901-29-3.
What is the molecular formula of Ethyl beta-oxo-alpha-phenylbenzenebutanoate?
The molecular formula of Ethyl beta-oxo-alpha-phenylbenzenebutanoate is C18H18O3.
What is the molecular weight of Ethyl beta-oxo-alpha-phenylbenzenebutanoate?
The molecular weight of Ethyl beta-oxo-alpha-phenylbenzenebutanoate is 282.13 g/mol.
Where can I buy Ethyl beta-oxo-alpha-phenylbenzenebutanoate?
You can request a quote for Ethyl beta-oxo-alpha-phenylbenzenebutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl beta-oxo-alpha-phenylbenzenebutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl beta-oxo-alpha-phenylbenzenebutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.