4-Pentenoic acid, 3-methyl-, methyl ester
TL;DR: 4-Pentenoic acid, 3-methyl-, methyl ester (CAS 20459-97-6) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methylpent-4-enoate
Also Known As: Methyl 3-methyl-4-pentenoate, methyl 3-methylpent-4-enoate, Methyl 3-methyl-4-pentenoate #, 3-methyl-4-pentenoic acid, methyl ester, 4-Pentenoic acid, 3-methyl-, methyl ester
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 20459-97-6 |
|---|---|
| SMILES | CC(CC(=O)OC)C=C |
| InChIKey | LPKNFPRCXZELLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Pentenoic acid, 3-methyl-, methyl ester (CAS 20459-97-6), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: methyl 3-methylpent-4-enoate.
Chemical Property Profile of 4-Pentenoic acid, 3-methyl-, methyl ester
Property Insights of 4-Pentenoic acid, 3-methyl-, methyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pentenoic acid, 3-methyl-, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Pentenoic acid, 3-methyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pentenoic acid, 3-methyl-, methyl 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, 3-methyl-, methyl ester?
The CAS number of 4-Pentenoic acid, 3-methyl-, methyl ester is 20459-97-6.
What is the molecular formula of 4-Pentenoic acid, 3-methyl-, methyl ester?
The molecular formula of 4-Pentenoic acid, 3-methyl-, methyl ester is C7H12O2.
What is the molecular weight of 4-Pentenoic acid, 3-methyl-, methyl ester?
The molecular weight of 4-Pentenoic acid, 3-methyl-, methyl ester is 128.08 g/mol.
Where can I buy 4-Pentenoic acid, 3-methyl-, methyl ester?
You can request a quote for 4-Pentenoic acid, 3-methyl-, 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, 3-methyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Pentenoic acid, 3-methyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.