Butan-2-yl 3-phenylprop-2-enoate
TL;DR: Butan-2-yl 3-phenylprop-2-enoate (CAS 17377-82-1) 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.
butan-2-yl 3-phenylprop-2-enoate
Also Known As: 2-butyl cinnamate, butan-2-yl 3-phenylprop-2-enoate, 2-Propenoic acid, 3-phenyl-, 1-methylpropyl ester, (2E)-
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 17377-82-1 |
|---|---|
| SMILES | CCC(C)OC(=O)C=CC1=CC=CC=C1 |
| InChIKey | KAUQDJKVXUKALZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butan-2-yl 3-phenylprop-2-enoate (CAS 17377-82-1), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: butan-2-yl 3-phenylprop-2-enoate.
Chemical Property Profile of Butan-2-yl 3-phenylprop-2-enoate
Property Insights of Butan-2-yl 3-phenylprop-2-enoate
The XLogP value of 3.5 indicates that Butan-2-yl 3-phenylprop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butan-2-yl 3-phenylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butan-2-yl 3-phenylprop-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 Butan-2-yl 3-phenylprop-2-enoate?
The CAS number of Butan-2-yl 3-phenylprop-2-enoate is 17377-82-1.
What is the molecular formula of Butan-2-yl 3-phenylprop-2-enoate?
The molecular formula of Butan-2-yl 3-phenylprop-2-enoate is C13H16O2.
What is the molecular weight of Butan-2-yl 3-phenylprop-2-enoate?
The molecular weight of Butan-2-yl 3-phenylprop-2-enoate is 204.12 g/mol.
Where can I buy Butan-2-yl 3-phenylprop-2-enoate?
You can request a quote for Butan-2-yl 3-phenylprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butan-2-yl 3-phenylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Butan-2-yl 3-phenylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.