4-Pentenoic acid isopropyl ester
TL;DR: 4-Pentenoic acid isopropyl ester (CAS 62030-44-8) 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 pent-4-enoate
Also Known As: Isopropylallylacetat, 4-Pentenoic acid isopropyl ester, propan-2-yl pent-4-enoate, 4-Pentenoic acid, 1-methylethyl ester, RefChem:295331
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 62030-44-8 |
|---|---|
| SMILES | CC(C)OC(=O)CCC=C |
| InChIKey | DAGPKYGPLKMJEJ-UHFFFAOYSA-N |
Product Overview
4-Pentenoic acid isopropyl ester (CAS 62030-44-8), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: propan-2-yl pent-4-enoate.
Chemical Property Profile of 4-Pentenoic acid isopropyl ester
Property Insights of 4-Pentenoic acid isopropyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pentenoic acid isopropyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Pentenoic acid isopropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pentenoic acid isopropyl ester 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 4-Pentenoic acid isopropyl ester?
The CAS number of 4-Pentenoic acid isopropyl ester is 62030-44-8.
What is the molecular formula of 4-Pentenoic acid isopropyl ester?
The molecular formula of 4-Pentenoic acid isopropyl ester is C8H14O2.
What is the molecular weight of 4-Pentenoic acid isopropyl ester?
The molecular weight of 4-Pentenoic acid isopropyl ester is 142.10 g/mol.
Where can I buy 4-Pentenoic acid isopropyl ester?
You can request a quote for 4-Pentenoic acid isopropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pentenoic acid isopropyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Pentenoic acid isopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.