Ethyl 2-methyl-3-phenylbut-3-enoate
TL;DR: Ethyl 2-methyl-3-phenylbut-3-enoate (CAS 25289-62-7) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-3-phenylbut-3-enoate
Also Known As: ethyl 2-methyl-3-phenylbut-3-enoate, J3.050.642A, 2-Methyl-3-phenyl-3-butenoic acid ethyl ester, RefChem:342889
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 25289-62-7 |
|---|---|
| SMILES | CCOC(=O)C(C)C(=C)C1=CC=CC=C1 |
| InChIKey | XTHJALYHLDJHSB-UHFFFAOYSA-N |
Product Overview
Ethyl 2-methyl-3-phenylbut-3-enoate (CAS 25289-62-7), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: ethyl 2-methyl-3-phenylbut-3-enoate.
Chemical Property Profile of Ethyl 2-methyl-3-phenylbut-3-enoate
Property Insights of Ethyl 2-methyl-3-phenylbut-3-enoate
The XLogP value of 3.7 indicates that Ethyl 2-methyl-3-phenylbut-3-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-methyl-3-phenylbut-3-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-methyl-3-phenylbut-3-enoate has 0 hydrogen bond donor(s) and 2 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-methyl-3-phenylbut-3-enoate?
The CAS number of Ethyl 2-methyl-3-phenylbut-3-enoate is 25289-62-7.
What is the molecular formula of Ethyl 2-methyl-3-phenylbut-3-enoate?
The molecular formula of Ethyl 2-methyl-3-phenylbut-3-enoate is C13H16O2.
What is the molecular weight of Ethyl 2-methyl-3-phenylbut-3-enoate?
The molecular weight of Ethyl 2-methyl-3-phenylbut-3-enoate is 204.12 g/mol.
Where can I buy Ethyl 2-methyl-3-phenylbut-3-enoate?
You can request a quote for Ethyl 2-methyl-3-phenylbut-3-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-methyl-3-phenylbut-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-3-phenylbut-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.