2-Methylbutyl 3-phenyl-2-propenoate
TL;DR: 2-Methylbutyl 3-phenyl-2-propenoate (CAS 4654-29-9) is a chemical compound with molecular formula C14H18O2 and molecular weight 218.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbutyl 3-phenylprop-2-enoate
Also Known As: 2-Methylbutyl cinnamate, 2-Methylbutyl 3-phenyl-2-propenoate, 2-methylbutyl 3-phenylprop-2-enoate, 2-methylbutyl (E)-3-phenylprop-2-enoate, 2-Propenoic acid, 3-phenyl-, 2-methylbutyl ester
| Molecular Formula | C14H18O2 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 218.13068 |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 4654-29-9 |
|---|---|
| SMILES | CCC(C)COC(=O)C=CC1=CC=CC=C1 |
| InChIKey | SEGJDCGIQJESDC-UHFFFAOYSA-N |
Product Overview
2-Methylbutyl 3-phenyl-2-propenoate (CAS 4654-29-9), with molecular formula C14H18O2 and molecular weight 218.13 g/mol. IUPAC: 2-methylbutyl 3-phenylprop-2-enoate.
Chemical Property Profile of 2-Methylbutyl 3-phenyl-2-propenoate
Property Insights of 2-Methylbutyl 3-phenyl-2-propenoate
The XLogP value of 4.3 indicates that 2-Methylbutyl 3-phenyl-2-propenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Methylbutyl 3-phenyl-2-propenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylbutyl 3-phenyl-2-propenoate 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 2-Methylbutyl 3-phenyl-2-propenoate?
The CAS number of 2-Methylbutyl 3-phenyl-2-propenoate is 4654-29-9.
What is the molecular formula of 2-Methylbutyl 3-phenyl-2-propenoate?
The molecular formula of 2-Methylbutyl 3-phenyl-2-propenoate is C14H18O2.
What is the molecular weight of 2-Methylbutyl 3-phenyl-2-propenoate?
The molecular weight of 2-Methylbutyl 3-phenyl-2-propenoate is 218.13 g/mol.
Where can I buy 2-Methylbutyl 3-phenyl-2-propenoate?
You can request a quote for 2-Methylbutyl 3-phenyl-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylbutyl 3-phenyl-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylbutyl 3-phenyl-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.