Prop-2-en-1-yl pent-4-enoate
TL;DR: Prop-2-en-1-yl pent-4-enoate (CAS 99-67-2) is a chemical compound with molecular formula C8H12O2 and molecular weight 140.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl pent-4-enoate
Also Known As: Diallyl-acetic acid, Allyl pent-4-enoate, prop-2-en-1-yl pent-4-enoate, 4,4'-Dien-valproic acid, prop-2-enyl pent-4-enoate
| Molecular Formula | C8H12O2 |
|---|---|
| Molecular Weight | 140.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 140.08372 |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 99-67-2 |
|---|---|
| SMILES | C=CCCC(=O)OCC=C |
| InChIKey | KIMFDBOZBIWTFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Prop-2-en-1-yl pent-4-enoate (CAS 99-67-2), with molecular formula C8H12O2 and molecular weight 140.08 g/mol. IUPAC: prop-2-enyl pent-4-enoate.
Chemical Property Profile of Prop-2-en-1-yl pent-4-enoate
Property Insights of Prop-2-en-1-yl pent-4-enoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prop-2-en-1-yl pent-4-enoate. With a topological polar surface area (TPSA) of 26.3 Ų, Prop-2-en-1-yl pent-4-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prop-2-en-1-yl pent-4-enoate 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 Prop-2-en-1-yl pent-4-enoate?
The CAS number of Prop-2-en-1-yl pent-4-enoate is 99-67-2.
What is the molecular formula of Prop-2-en-1-yl pent-4-enoate?
The molecular formula of Prop-2-en-1-yl pent-4-enoate is C8H12O2.
What is the molecular weight of Prop-2-en-1-yl pent-4-enoate?
The molecular weight of Prop-2-en-1-yl pent-4-enoate is 140.08 g/mol.
Where can I buy Prop-2-en-1-yl pent-4-enoate?
You can request a quote for Prop-2-en-1-yl pent-4-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prop-2-en-1-yl pent-4-enoate?
Yes, KEHONG BIO provides custom synthesis services for Prop-2-en-1-yl pent-4-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.