2-Butenoic acid, 3-methyl-, 3-phenylpropyl ester
TL;DR: 2-Butenoic acid, 3-methyl-, 3-phenylpropyl ester (CAS 56500-48-2) 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.
3-phenylpropyl 3-methylbut-2-enoate
Also Known As: 3-phenylpropyl 3-methylbut-2-enoate, 3-Phenylpropyl 3-methyl-2-butenoate, 2-Butenoic acid, 3-methyl-, 3-phenylpropyl ester, 3-Phenylpropyl 3-methyl-2-butenoate #, 3-Methyl-2-butenoic acid,3-phenylpropyl ester
| Molecular Formula | C14H18O2 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 4.0 |
| 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 | 233.0 |
Chemical Identifiers
| CAS Number | 56500-48-2 |
|---|---|
| SMILES | CC(=CC(=O)OCCCC1=CC=CC=C1)C |
| InChIKey | SXBYOJZCRBEUTK-UHFFFAOYSA-N |
Product Overview
2-Butenoic acid, 3-methyl-, 3-phenylpropyl ester (CAS 56500-48-2), with molecular formula C14H18O2 and molecular weight 218.13 g/mol. IUPAC: 3-phenylpropyl 3-methylbut-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 3-methyl-, 3-phenylpropyl ester
Property Insights of 2-Butenoic acid, 3-methyl-, 3-phenylpropyl ester
The XLogP value of 4.0 indicates that 2-Butenoic acid, 3-methyl-, 3-phenylpropyl ester 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-Butenoic acid, 3-methyl-, 3-phenylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 3-methyl-, 3-phenylpropyl ester 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-Butenoic acid, 3-methyl-, 3-phenylpropyl ester?
The CAS number of 2-Butenoic acid, 3-methyl-, 3-phenylpropyl ester is 56500-48-2.
What is the molecular formula of 2-Butenoic acid, 3-methyl-, 3-phenylpropyl ester?
The molecular formula of 2-Butenoic acid, 3-methyl-, 3-phenylpropyl ester is C14H18O2.
What is the molecular weight of 2-Butenoic acid, 3-methyl-, 3-phenylpropyl ester?
The molecular weight of 2-Butenoic acid, 3-methyl-, 3-phenylpropyl ester is 218.13 g/mol.
Where can I buy 2-Butenoic acid, 3-methyl-, 3-phenylpropyl ester?
You can request a quote for 2-Butenoic acid, 3-methyl-, 3-phenylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 3-methyl-, 3-phenylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 3-methyl-, 3-phenylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.