巴豆酸异丙酯
TL;DR: 巴豆酸异丙酯 (CAS 18060-77-0) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
巴豆酸异丙酯
propan-2-yl but-2-enoate
Also Known As: Isopropyl crotonate, Isopropyl 2-butenoate, isopropyl but-2-enoate, propan-2-yl but-2-enoate, 1-Methylethyl 2-butenoate
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 18060-77-0 |
|---|---|
| SMILES | CC=CC(=O)OC(C)C |
| InChIKey | AABBHSMFGKYLKE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
巴豆酸异丙酯 (CAS 18060-77-0), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: propan-2-yl but-2-enoate.
Chemical Property Profile of 巴豆酸异丙酯
Property Insights of 巴豆酸异丙酯
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 巴豆酸异丙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 巴豆酸异丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 巴豆酸异丙酯 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 巴豆酸异丙酯?
The CAS number of 巴豆酸异丙酯 is 18060-77-0.
What is the molecular formula of 巴豆酸异丙酯?
The molecular formula of 巴豆酸异丙酯 is C7H12O2.
What is the molecular weight of 巴豆酸异丙酯?
The molecular weight of 巴豆酸异丙酯 is 128.08 g/mol.
Where can I buy 巴豆酸异丙酯?
You can request a quote for 巴豆酸异丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 巴豆酸异丙酯?
Yes, KEHONG BIO provides custom synthesis services for 巴豆酸异丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.