2-Propylbut-2-enedioic acid
TL;DR: 2-Propylbut-2-enedioic acid (CAS 5469-28-3) is a chemical compound with molecular formula C7H10O4 and molecular weight 158.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propylbut-2-enedioic acid
Also Known As: 2-Propylfumaric acid, 2-propylbut-2-enedioic acid, 2-Butenedioic acid,2-propyl-, (2E)-
| Molecular Formula | C7H10O4 |
|---|---|
| Molecular Weight | 158.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 158.0579 |
| Heavy Atoms | 11 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 5469-28-3 |
|---|---|
| SMILES | CCCC(=CC(=O)O)C(=O)O |
| InChIKey | CCKSYUMJLIMSQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propylbut-2-enedioic acid (CAS 5469-28-3), with molecular formula C7H10O4 and molecular weight 158.06 g/mol. IUPAC: 2-propylbut-2-enedioic acid.
Chemical Property Profile of 2-Propylbut-2-enedioic acid
Property Insights of 2-Propylbut-2-enedioic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propylbut-2-enedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propylbut-2-enedioic acid. Following Lipinski's Rule of Five, 2-Propylbut-2-enedioic acid has 2 hydrogen bond donor(s) and 4 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-Propylbut-2-enedioic acid?
The CAS number of 2-Propylbut-2-enedioic acid is 5469-28-3.
What is the molecular formula of 2-Propylbut-2-enedioic acid?
The molecular formula of 2-Propylbut-2-enedioic acid is C7H10O4.
What is the molecular weight of 2-Propylbut-2-enedioic acid?
The molecular weight of 2-Propylbut-2-enedioic acid is 158.06 g/mol.
Where can I buy 2-Propylbut-2-enedioic acid?
You can request a quote for 2-Propylbut-2-enedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propylbut-2-enedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Propylbut-2-enedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.