3-Pentenoic acid, 4-methyl-, methyl ester
TL;DR: 3-Pentenoic acid, 4-methyl-, methyl ester (CAS 2258-65-3) 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 4-methylpent-3-enoate
Also Known As: methyl 4-methylpent-3-enoate, Methyl 4-methyl-3-pentenoate, 3-Pentenoic acid, 4-methyl-, methyl ester, Methyl 4-methyl-3-pentenoate #, 4-Methyl-3-pentenoic acid methyl ester
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 2258-65-3 |
|---|---|
| SMILES | CC(=CCC(=O)OC)C |
| InChIKey | UBZQAEZHQYZZJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Pentenoic acid, 4-methyl-, methyl ester (CAS 2258-65-3), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: methyl 4-methylpent-3-enoate.
Chemical Property Profile of 3-Pentenoic acid, 4-methyl-, methyl ester
Property Insights of 3-Pentenoic acid, 4-methyl-, methyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pentenoic acid, 4-methyl-, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Pentenoic acid, 4-methyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pentenoic acid, 4-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 3-Pentenoic acid, 4-methyl-, methyl ester?
The CAS number of 3-Pentenoic acid, 4-methyl-, methyl ester is 2258-65-3.
What is the molecular formula of 3-Pentenoic acid, 4-methyl-, methyl ester?
The molecular formula of 3-Pentenoic acid, 4-methyl-, methyl ester is C7H12O2.
What is the molecular weight of 3-Pentenoic acid, 4-methyl-, methyl ester?
The molecular weight of 3-Pentenoic acid, 4-methyl-, methyl ester is 128.08 g/mol.
Where can I buy 3-Pentenoic acid, 4-methyl-, methyl ester?
You can request a quote for 3-Pentenoic acid, 4-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 3-Pentenoic acid, 4-methyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pentenoic acid, 4-methyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.