Methyl 2-phenyl-but-2-enoate
TL;DR: Methyl 2-phenyl-but-2-enoate (CAS 50415-85-5) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-2-phenylbut-2-enoate
Also Known As: Methyl 2-phenyl-but-2-enoate, (E)-methyl 2-phenylbut-2-enoate, methyl (E)-2-phenylbut-2-enoate, Methyl (2E)-2-phenyl-2-butenoate #
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 2.2629 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 312.12198 |
Chemical Identifiers
| CAS Number | 50415-85-5 |
|---|---|
| SMILES | C/C=C(\C1=CC=CC=C1)/C(=O)OC |
Product Overview
Methyl 2-phenyl-but-2-enoate (CAS 50415-85-5), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: methyl (E)-2-phenylbut-2-enoate.
Chemical Property Profile of Methyl 2-phenyl-but-2-enoate
Property Insights of Methyl 2-phenyl-but-2-enoate
The XLogP value of 2.2629 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-phenyl-but-2-enoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-phenyl-but-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-phenyl-but-2-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 Methyl 2-phenyl-but-2-enoate?
The CAS number of Methyl 2-phenyl-but-2-enoate is 50415-85-5.
What is the molecular formula of Methyl 2-phenyl-but-2-enoate?
The molecular formula of Methyl 2-phenyl-but-2-enoate is C11H12O2.
What is the molecular weight of Methyl 2-phenyl-but-2-enoate?
The molecular weight of Methyl 2-phenyl-but-2-enoate is 176.08 g/mol.
Where can I buy Methyl 2-phenyl-but-2-enoate?
You can request a quote for Methyl 2-phenyl-but-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-phenyl-but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-phenyl-but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.