2-Phenylpropyl but-2-enoate
TL;DR: 2-Phenylpropyl but-2-enoate (CAS 93857-94-4) 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.
2-phenylpropyl but-2-enoate
Also Known As: 2-phenylpropyl2-butenoate, 2-Phenylpropyl 2-butenoate, 2-phenylpropyl but-2-enoate, 2-Butenoic acid, 2-phenylpropyl ester
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 2.9094 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 327.64902 |
Chemical Identifiers
| CAS Number | 93857-94-4 |
|---|---|
| SMILES | CC=CC(=O)OCC(C)C1=CC=CC=C1 |
Product Overview
2-Phenylpropyl but-2-enoate (CAS 93857-94-4), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: 2-phenylpropyl but-2-enoate.
Chemical Property Profile of 2-Phenylpropyl but-2-enoate
Property Insights of 2-Phenylpropyl but-2-enoate
The XLogP value of 2.9094 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenylpropyl but-2-enoate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Phenylpropyl but-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylpropyl 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 2-Phenylpropyl but-2-enoate?
The CAS number of 2-Phenylpropyl but-2-enoate is 93857-94-4.
What is the molecular formula of 2-Phenylpropyl but-2-enoate?
The molecular formula of 2-Phenylpropyl but-2-enoate is C13H16O2.
What is the molecular weight of 2-Phenylpropyl but-2-enoate?
The molecular weight of 2-Phenylpropyl but-2-enoate is 204.12 g/mol.
Where can I buy 2-Phenylpropyl but-2-enoate?
You can request a quote for 2-Phenylpropyl 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 2-Phenylpropyl but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylpropyl but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.