Methyl 4-methyl-2-pentenoate
TL;DR: Methyl 4-methyl-2-pentenoate (CAS 13894-63-8) 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 (E)-4-methylpent-2-enoate
Also Known As: Methyl 4-methyl-2-pentenoate, methyl (2E)-4-methylpent-2-enoate, methyl (E)-4-methylpent-2-enoate, (e)-methyl 4-methylpent-2-enoate, methyl 4-methylpent-2-enoate
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.3716 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 114.08456 |
Chemical Identifiers
| CAS Number | 13894-63-8 |
|---|---|
| SMILES | CC(C)/C=C/C(=O)OC |
Product Overview
Methyl 4-methyl-2-pentenoate (CAS 13894-63-8), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: methyl (E)-4-methylpent-2-enoate.
Chemical Property Profile of Methyl 4-methyl-2-pentenoate
Property Insights of Methyl 4-methyl-2-pentenoate
The XLogP value of 1.3716 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-methyl-2-pentenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4-methyl-2-pentenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-methyl-2-pentenoate 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 Methyl 4-methyl-2-pentenoate?
The CAS number of Methyl 4-methyl-2-pentenoate is 13894-63-8.
What is the molecular formula of Methyl 4-methyl-2-pentenoate?
The molecular formula of Methyl 4-methyl-2-pentenoate is C7H12O2.
What is the molecular weight of Methyl 4-methyl-2-pentenoate?
The molecular weight of Methyl 4-methyl-2-pentenoate is 128.08 g/mol.
Where can I buy Methyl 4-methyl-2-pentenoate?
You can request a quote for Methyl 4-methyl-2-pentenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-methyl-2-pentenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-methyl-2-pentenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.