(3E)-3-Pentenoic acid
TL;DR: (3E)-3-Pentenoic acid (CAS 33698-87-2) is a chemical compound with molecular formula C5H8O2 and molecular weight 100.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-pent-3-enoic acid
Also Known As: 3-PENTENOIC ACID, (E)-pent-3-enoic acid, trans-3-Pentenoic Acid, pent-3-enoic acid, beta-penteic acid
| Molecular Formula | C5H8O2 |
|---|---|
| Molecular Weight | 100.05 g/mol |
| LogP | 1.0372 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 100.05243 |
| Heavy Atoms | 7 |
| Complexity | 84.08094 |
Chemical Identifiers
| CAS Number | 33698-87-2 |
|---|---|
| SMILES | C/C=C/CC(=O)O |
Product Overview
(3E)-3-Pentenoic acid (CAS 33698-87-2), with molecular formula C5H8O2 and molecular weight 100.05 g/mol. IUPAC: (E)-pent-3-enoic acid.
Chemical Property Profile of (3E)-3-Pentenoic acid
Property Insights of (3E)-3-Pentenoic acid
The XLogP value of 1.0372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E)-3-Pentenoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, (3E)-3-Pentenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-3-Pentenoic acid has 1 hydrogen bond donor(s) and 1 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 (3E)-3-Pentenoic acid?
The CAS number of (3E)-3-Pentenoic acid is 33698-87-2.
What is the molecular formula of (3E)-3-Pentenoic acid?
The molecular formula of (3E)-3-Pentenoic acid is C5H8O2.
What is the molecular weight of (3E)-3-Pentenoic acid?
The molecular weight of (3E)-3-Pentenoic acid is 100.05 g/mol.
Where can I buy (3E)-3-Pentenoic acid?
You can request a quote for (3E)-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 (3E)-3-Pentenoic acid?
Yes, KEHONG BIO provides custom synthesis services for (3E)-3-Pentenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.