4-Pentenoic acid, 2-acetyl-4-methyl-, ethyl ester
TL;DR: 4-Pentenoic acid, 2-acetyl-4-methyl-, ethyl ester (CAS 20962-70-3) is a chemical compound with molecular formula C10H16O3 and molecular weight 184.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetyl-4-methylpent-4-enoate
Also Known As: ethyl 2-acetyl-4-methylpent-4-enoate, Ethyl 2-acetyl-4-methyl-4-pentenoate, ethyl-2-acetyl-4-methyl-4-pentenoate, 4-Pentenoic acid, 2-acetyl-4-methyl-, ethyl ester, ethyl 2-acetyl-4-methyl-pent-4-enoate
| Molecular Formula | C10H16O3 |
|---|---|
| Molecular Weight | 184.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 184.10994 |
| Heavy Atoms | 13 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 20962-70-3 |
|---|---|
| SMILES | CCOC(=O)C(CC(=C)C)C(=O)C |
| InChIKey | DVIFNSDZOSQUGX-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-4-methyl-, ethyl ester (CAS 20962-70-3), with molecular formula C10H16O3 and molecular weight 184.11 g/mol. IUPAC: ethyl 2-acetyl-4-methylpent-4-enoate.
Chemical Property Profile of 4-Pentenoic acid, 2-acetyl-4-methyl-, ethyl ester
Property Insights of 4-Pentenoic acid, 2-acetyl-4-methyl-, ethyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pentenoic acid, 2-acetyl-4-methyl-, ethyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, 4-Pentenoic acid, 2-acetyl-4-methyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pentenoic acid, 2-acetyl-4-methyl-, ethyl 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-4-methyl-, ethyl ester?
The CAS number of 4-Pentenoic acid, 2-acetyl-4-methyl-, ethyl ester is 20962-70-3.
What is the molecular formula of 4-Pentenoic acid, 2-acetyl-4-methyl-, ethyl ester?
The molecular formula of 4-Pentenoic acid, 2-acetyl-4-methyl-, ethyl ester is C10H16O3.
What is the molecular weight of 4-Pentenoic acid, 2-acetyl-4-methyl-, ethyl ester?
The molecular weight of 4-Pentenoic acid, 2-acetyl-4-methyl-, ethyl ester is 184.11 g/mol.
Where can I buy 4-Pentenoic acid, 2-acetyl-4-methyl-, ethyl ester?
You can request a quote for 4-Pentenoic acid, 2-acetyl-4-methyl-, ethyl 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-4-methyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Pentenoic acid, 2-acetyl-4-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.