3-甲基丁酸3-己烯酯
TL;DR: 3-甲基丁酸3-己烯酯 (CAS 35154-45-1) 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.
3-甲基丁酸3-己烯酯
hex-3-enyl 3-methylbutanoate
Also Known As: cis-3-Hexenyl isovalerate, 3-Hexenyl isovalerate, cis-3-Hexenyl 3-methylbutanoate, hex-3-enyl 3-methylbutanoate, 3-Hexen-1-yl isovalerate
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 35154-45-1 |
|---|---|
| SMILES | CCC=CCCOC(=O)CC(C)C |
| InChIKey | AIQLNKITFBJPFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基丁酸3-己烯酯 (CAS 35154-45-1), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: hex-3-enyl 3-methylbutanoate.
Chemical Property Profile of 3-甲基丁酸3-己烯酯
Property Insights of 3-甲基丁酸3-己烯酯
The XLogP value of 3.2 indicates that 3-甲基丁酸3-己烯酯 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-甲基丁酸3-己烯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基丁酸3-己烯酯 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 3-甲基丁酸3-己烯酯?
The CAS number of 3-甲基丁酸3-己烯酯 is 35154-45-1.
What is the molecular formula of 3-甲基丁酸3-己烯酯?
The molecular formula of 3-甲基丁酸3-己烯酯 is C11H20O2.
What is the molecular weight of 3-甲基丁酸3-己烯酯?
The molecular weight of 3-甲基丁酸3-己烯酯 is 184.15 g/mol.
Where can I buy 3-甲基丁酸3-己烯酯?
You can request a quote for 3-甲基丁酸3-己烯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基丁酸3-己烯酯?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基丁酸3-己烯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.