3-苯基丙烯酸庚酯
TL;DR: 3-苯基丙烯酸庚酯 (CAS 10032-08-3) is a chemical compound with molecular formula C16H22O2 and molecular weight 246.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-苯基丙烯酸庚酯
heptyl 3-phenylprop-2-enoate
Also Known As: Heptyl cinnamate, HEPTYL 3-PHENYLPROP-2-ENOATE, 2-Propenoic acid,3-phenyl-, heptyl ester, 2-Propenoic acid, 3-phenyl-, heptyl ester, HEPTYL (2E)-3-PHENYLPROP-2-ENOATE
| Molecular Formula | C16H22O2 |
|---|---|
| Molecular Weight | 246.16 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 246.16199 |
| Heavy Atoms | 18 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 10032-08-3 |
|---|---|
| SMILES | CCCCCCCOC(=O)C=CC1=CC=CC=C1 |
| InChIKey | DCXNRXBLAGAHIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-苯基丙烯酸庚酯 (CAS 10032-08-3), with molecular formula C16H22O2 and molecular weight 246.16 g/mol. IUPAC: heptyl 3-phenylprop-2-enoate.
Chemical Property Profile of 3-苯基丙烯酸庚酯
Property Insights of 3-苯基丙烯酸庚酯
The XLogP value of 5.5 indicates that 3-苯基丙烯酸庚酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-苯基丙烯酸庚酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-苯基丙烯酸庚酯 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-苯基丙烯酸庚酯?
The CAS number of 3-苯基丙烯酸庚酯 is 10032-08-3.
What is the molecular formula of 3-苯基丙烯酸庚酯?
The molecular formula of 3-苯基丙烯酸庚酯 is C16H22O2.
What is the molecular weight of 3-苯基丙烯酸庚酯?
The molecular weight of 3-苯基丙烯酸庚酯 is 246.16 g/mol.
Where can I buy 3-苯基丙烯酸庚酯?
You can request a quote for 3-苯基丙烯酸庚酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-苯基丙烯酸庚酯?
Yes, KEHONG BIO provides custom synthesis services for 3-苯基丙烯酸庚酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.