Methyl 3-methyl-2-phenylbut-2-enoate
TL;DR: Methyl 3-methyl-2-phenylbut-2-enoate (CAS 33131-36-1) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methyl-2-phenylbut-2-enoate
Also Known As: methyl 3-methyl-2-phenylbut-2-enoate, J2.558.779K, 2-Phenyl-3-methyl-2-butenoic acid methyl ester, RefChem:355103
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 2.653 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 345.8443 |
Chemical Identifiers
| CAS Number | 33131-36-1 |
|---|---|
| SMILES | CC(=C(C1=CC=CC=C1)C(=O)OC)C |
Product Overview
Methyl 3-methyl-2-phenylbut-2-enoate (CAS 33131-36-1), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: methyl 3-methyl-2-phenylbut-2-enoate.
Chemical Property Profile of Methyl 3-methyl-2-phenylbut-2-enoate
Property Insights of Methyl 3-methyl-2-phenylbut-2-enoate
The XLogP value of 2.653 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-methyl-2-phenylbut-2-enoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-methyl-2-phenylbut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-methyl-2-phenylbut-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 3-methyl-2-phenylbut-2-enoate?
The CAS number of Methyl 3-methyl-2-phenylbut-2-enoate is 33131-36-1.
What is the molecular formula of Methyl 3-methyl-2-phenylbut-2-enoate?
The molecular formula of Methyl 3-methyl-2-phenylbut-2-enoate is C12H14O2.
What is the molecular weight of Methyl 3-methyl-2-phenylbut-2-enoate?
The molecular weight of Methyl 3-methyl-2-phenylbut-2-enoate is 190.10 g/mol.
Where can I buy Methyl 3-methyl-2-phenylbut-2-enoate?
You can request a quote for Methyl 3-methyl-2-phenylbut-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 3-methyl-2-phenylbut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-methyl-2-phenylbut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.