2-Propyl-3-pentenoic acid
TL;DR: 2-Propyl-3-pentenoic acid (CAS 80382-68-9) is a chemical compound with molecular formula CCCC(C=CC)C(=O)O and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propylpent-3-enoic acid
Also Known As: 2-Propyl-3-pentenoic acid, 3-En-valproic acid, 2-propylpent-3-enoic acid, 3-en-VPA, 2-Propyl-3-pentenoicacid
| Molecular Formula | CCCC(C=CC)C(=O)O |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 80382-68-9 |
|---|---|
| SMILES | CCCC(C=CC)C(=O)O |
| InChIKey | WTMAHJABDOHPDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propyl-3-pentenoic acid (CAS 80382-68-9), with molecular formula CCCC(C=CC)C(=O)O and molecular weight 142.10 g/mol. IUPAC: 2-propylpent-3-enoic acid.
Chemical Property Profile of 2-Propyl-3-pentenoic acid
Property Insights of 2-Propyl-3-pentenoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propyl-3-pentenoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Propyl-3-pentenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propyl-3-pentenoic acid 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-Propyl-3-pentenoic acid?
The CAS number of 2-Propyl-3-pentenoic acid is 80382-68-9.
What is the molecular formula of 2-Propyl-3-pentenoic acid?
The molecular formula of 2-Propyl-3-pentenoic acid is CCCC(C=CC)C(=O)O.
What is the molecular weight of 2-Propyl-3-pentenoic acid?
The molecular weight of 2-Propyl-3-pentenoic acid is 142.10 g/mol.
Where can I buy 2-Propyl-3-pentenoic acid?
You can request a quote for 2-Propyl-3-pentenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propyl-3-pentenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Propyl-3-pentenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.