4-Pentenoic acid, 2-(2-oxopropyl)-
TL;DR: 4-Pentenoic acid, 2-(2-oxopropyl)- (CAS 85877-56-1) is a chemical compound with molecular formula C8H12O3 and molecular weight 156.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-oxopropyl)pent-4-enoic acid
Also Known As: 2-(2-oxopropyl)pent-4-enoic acid, 2-acetonylpent-4-enoic acid, 2-(2-Oxopropyl)-4-pentenoic acid, 2-(2-oxo-propyl)-pent-4-enoic acid, 2-(2-Oxopropyl)-4-pentenoic acid #
| Molecular Formula | C8H12O3 |
|---|---|
| Molecular Weight | 156.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 156.07864 |
| Heavy Atoms | 11 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 85877-56-1 |
|---|---|
| SMILES | CC(=O)CC(CC=C)C(=O)O |
| InChIKey | MCYVLUUDBAGBKD-UHFFFAOYSA-N |
Product Overview
4-Pentenoic acid, 2-(2-oxopropyl)- (CAS 85877-56-1), with molecular formula C8H12O3 and molecular weight 156.08 g/mol. IUPAC: 2-(2-oxopropyl)pent-4-enoic acid.
Chemical Property Profile of 4-Pentenoic acid, 2-(2-oxopropyl)-
Property Insights of 4-Pentenoic acid, 2-(2-oxopropyl)-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pentenoic acid, 2-(2-oxopropyl)-. With a topological polar surface area (TPSA) of 54.4 Ų, 4-Pentenoic acid, 2-(2-oxopropyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pentenoic acid, 2-(2-oxopropyl)- has 1 hydrogen bond donor(s) and 3 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 4-Pentenoic acid, 2-(2-oxopropyl)-?
The CAS number of 4-Pentenoic acid, 2-(2-oxopropyl)- is 85877-56-1.
What is the molecular formula of 4-Pentenoic acid, 2-(2-oxopropyl)-?
The molecular formula of 4-Pentenoic acid, 2-(2-oxopropyl)- is C8H12O3.
What is the molecular weight of 4-Pentenoic acid, 2-(2-oxopropyl)-?
The molecular weight of 4-Pentenoic acid, 2-(2-oxopropyl)- is 156.08 g/mol.
Where can I buy 4-Pentenoic acid, 2-(2-oxopropyl)-?
You can request a quote for 4-Pentenoic acid, 2-(2-oxopropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pentenoic acid, 2-(2-oxopropyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Pentenoic acid, 2-(2-oxopropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.