Isopropyl tiglate
TL;DR: Isopropyl tiglate (CAS 1733-25-1) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 3-methylbut-2-enoate
Also Known As: Isopropyl tiglate, ISOPROPYLTIGLATE, Tiglic acid isopropyl ester, Isopropyl 2-methylcrotonate, isopropyl 3-methylbut-2-enoate
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 1733-25-1 |
|---|---|
| SMILES | CC(C)OC(=O)C=C(C)C |
| InChIKey | QQVQBUXUAZCLLZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl tiglate (CAS 1733-25-1), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: propan-2-yl 3-methylbut-2-enoate.
Chemical Property Profile of Isopropyl tiglate
Property Insights of Isopropyl tiglate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl tiglate. With a topological polar surface area (TPSA) of 26.3 Ų, Isopropyl tiglate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl tiglate 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 Isopropyl tiglate?
The CAS number of Isopropyl tiglate is 1733-25-1.
What is the molecular formula of Isopropyl tiglate?
The molecular formula of Isopropyl tiglate is C8H14O2.
What is the molecular weight of Isopropyl tiglate?
The molecular weight of Isopropyl tiglate is 142.10 g/mol.
Where can I buy Isopropyl tiglate?
You can request a quote for Isopropyl tiglate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl tiglate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl tiglate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.