2-丁烯酸 3-甲基丁酯
TL;DR: 2-丁烯酸 3-甲基丁酯 (CAS 25415-77-4) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-丁烯酸 3-甲基丁酯
3-methylbutyl but-2-enoate
Also Known As: Isoamyl crotonate, Isopentyl crotonate, ISO-AMYL-CROTONATE, Isopentyl 2-butenoate, 3-methylbutyl but-2-enoate
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 25415-77-4 |
|---|---|
| SMILES | CC=CC(=O)OCCC(C)C |
| InChIKey | JAVOYFHBJFLMRQ-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 3-甲基丁酯 (CAS 25415-77-4), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: 3-methylbutyl but-2-enoate.
Chemical Property Profile of 2-丁烯酸 3-甲基丁酯
Property Insights of 2-丁烯酸 3-甲基丁酯
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-丁烯酸 3-甲基丁酯. With a topological polar surface area (TPSA) of 26.3 Ų, 2-丁烯酸 3-甲基丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-丁烯酸 3-甲基丁酯 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 3-甲基丁酯?
The CAS number of 2-丁烯酸 3-甲基丁酯 is 25415-77-4.
What is the molecular formula of 2-丁烯酸 3-甲基丁酯?
The molecular formula of 2-丁烯酸 3-甲基丁酯 is C9H16O2.
What is the molecular weight of 2-丁烯酸 3-甲基丁酯?
The molecular weight of 2-丁烯酸 3-甲基丁酯 is 156.12 g/mol.
Where can I buy 2-丁烯酸 3-甲基丁酯?
You can request a quote for 2-丁烯酸 3-甲基丁酯 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 3-甲基丁酯?
Yes, KEHONG BIO provides custom synthesis services for 2-丁烯酸 3-甲基丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.