2-丁烯酸 庚酯
TL;DR: 2-丁烯酸 庚酯 (CAS 16930-99-7) is a chemical compound with molecular formula C11H20O2 and molecular weight 184.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-丁烯酸 庚酯
heptyl but-2-enoate
Also Known As: Heptyl crotonate, heptyl but-2-enoate, HEPTYL-CROTONATE, Heptyl 2-butenoate, 2-Butenoic acid, heptyl ester
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 16930-99-7 |
|---|---|
| SMILES | CCCCCCCOC(=O)C=CC |
| InChIKey | DOBPEHKISOHXTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-丁烯酸 庚酯 (CAS 16930-99-7), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: heptyl but-2-enoate.
Chemical Property Profile of 2-丁烯酸 庚酯
Property Insights of 2-丁烯酸 庚酯
The XLogP value of 3.8 indicates that 2-丁烯酸 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, 2-丁烯酸 庚酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-丁烯酸 庚酯 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-丁烯酸 庚酯?
The CAS number of 2-丁烯酸 庚酯 is 16930-99-7.
What is the molecular formula of 2-丁烯酸 庚酯?
The molecular formula of 2-丁烯酸 庚酯 is C11H20O2.
What is the molecular weight of 2-丁烯酸 庚酯?
The molecular weight of 2-丁烯酸 庚酯 is 184.15 g/mol.
Where can I buy 2-丁烯酸 庚酯?
You can request a quote for 2-丁烯酸 庚酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-丁烯酸 庚酯?
Yes, KEHONG BIO provides custom synthesis services for 2-丁烯酸 庚酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.