2-Hexenoic acid, 4-methyl-, (E)-
TL;DR: 2-Hexenoic acid, 4-methyl-, (E)- (CAS 37549-83-0) 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.
4-methylhex-2-enoic acid
Also Known As: 4-methylhex-2-enoic acid, 2-Hexenoic acid, 4-methyl-, (E)-, 4-methyl-2-hexenoic acid, 2-Hexenoic acid,4-methyl-,(E), RefChem:261444
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 37549-83-0 |
|---|---|
| SMILES | CCC(C)C=CC(=O)O |
| InChIKey | QDYRHGGXBLRFHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hexenoic acid, 4-methyl-, (E)- (CAS 37549-83-0), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: 4-methylhex-2-enoic acid.
Chemical Property Profile of 2-Hexenoic acid, 4-methyl-, (E)-
Property Insights of 2-Hexenoic acid, 4-methyl-, (E)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hexenoic acid, 4-methyl-, (E)-. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Hexenoic acid, 4-methyl-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hexenoic acid, 4-methyl-, (E)- has 1 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 2-Hexenoic acid, 4-methyl-, (E)-?
The CAS number of 2-Hexenoic acid, 4-methyl-, (E)- is 37549-83-0.
What is the molecular formula of 2-Hexenoic acid, 4-methyl-, (E)-?
The molecular formula of 2-Hexenoic acid, 4-methyl-, (E)- is C7H12O2.
What is the molecular weight of 2-Hexenoic acid, 4-methyl-, (E)-?
The molecular weight of 2-Hexenoic acid, 4-methyl-, (E)- is 128.08 g/mol.
Where can I buy 2-Hexenoic acid, 4-methyl-, (E)-?
You can request a quote for 2-Hexenoic acid, 4-methyl-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hexenoic acid, 4-methyl-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexenoic acid, 4-methyl-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.