4-Pentenoic acid, 2-acetyl-, methyl ester
TL;DR: 4-Pentenoic acid, 2-acetyl-, methyl ester (CAS 3897-04-9) is a chemical compound with molecular formula C8H12O3 and molecular weight 156.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetylpent-4-enoate
Also Known As: methyl 2-acetylpent-4-enoate, Methyl 2-allylacetoacetate, 4-Pentenoic acid, 2-acetyl-, methyl ester, 4-carbomethoxy-1-hexen-5-one, methyl2-acetylpent-4-en-1-oate
| Molecular Formula | C8H12O3 |
|---|---|
| Molecular Weight | 156.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 156.07864 |
| Heavy Atoms | 11 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 3897-04-9 |
|---|---|
| SMILES | CC(=O)C(CC=C)C(=O)OC |
| InChIKey | ZPODYHCGBAQQKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Pentenoic acid, 2-acetyl-, methyl ester (CAS 3897-04-9), with molecular formula C8H12O3 and molecular weight 156.08 g/mol. IUPAC: methyl 2-acetylpent-4-enoate.
Chemical Property Profile of 4-Pentenoic acid, 2-acetyl-, methyl ester
Property Insights of 4-Pentenoic acid, 2-acetyl-, methyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pentenoic acid, 2-acetyl-, methyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, 4-Pentenoic acid, 2-acetyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pentenoic acid, 2-acetyl-, methyl ester has 0 hydrogen bond donor(s) and 3 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, 2-acetyl-, methyl ester?
The CAS number of 4-Pentenoic acid, 2-acetyl-, methyl ester is 3897-04-9.
What is the molecular formula of 4-Pentenoic acid, 2-acetyl-, methyl ester?
The molecular formula of 4-Pentenoic acid, 2-acetyl-, methyl ester is C8H12O3.
What is the molecular weight of 4-Pentenoic acid, 2-acetyl-, methyl ester?
The molecular weight of 4-Pentenoic acid, 2-acetyl-, methyl ester is 156.08 g/mol.
Where can I buy 4-Pentenoic acid, 2-acetyl-, methyl ester?
You can request a quote for 4-Pentenoic acid, 2-acetyl-, methyl 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, 2-acetyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Pentenoic acid, 2-acetyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.