(2E)-2-Octen-1-ylbutanedioic acid
TL;DR: (2E)-2-Octen-1-ylbutanedioic acid (CAS 62568-82-5) is a chemical compound with molecular formula C12H20O4 and molecular weight 228.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-oct-2-enyl]butanedioic acid
Also Known As: 2-Otsca, 2-Octenylsuccinic acid, (2E)-, 2-(2'-Octenyl)succinic acid, 2-(2-Octenyl)succinic acid, Butanedioic acid, 2-octenyl-, (E)-
| Molecular Formula | C12H20O4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 2.6885 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 228.13615 |
| Heavy Atoms | 16 |
| Complexity | 245.40332 |
Chemical Identifiers
| CAS Number | 62568-82-5 |
|---|---|
| SMILES | CCCCC/C=C/CC(CC(=O)O)C(=O)O |
Product Overview
(2E)-2-Octen-1-ylbutanedioic acid (CAS 62568-82-5), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: 2-[(E)-oct-2-enyl]butanedioic acid.
Chemical Property Profile of (2E)-2-Octen-1-ylbutanedioic acid
Property Insights of (2E)-2-Octen-1-ylbutanedioic acid
The XLogP value of 2.6885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-Octen-1-ylbutanedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-Octen-1-ylbutanedioic acid. Following Lipinski's Rule of Five, (2E)-2-Octen-1-ylbutanedioic acid has 2 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 (2E)-2-Octen-1-ylbutanedioic acid?
The CAS number of (2E)-2-Octen-1-ylbutanedioic acid is 62568-82-5.
What is the molecular formula of (2E)-2-Octen-1-ylbutanedioic acid?
The molecular formula of (2E)-2-Octen-1-ylbutanedioic acid is C12H20O4.
What is the molecular weight of (2E)-2-Octen-1-ylbutanedioic acid?
The molecular weight of (2E)-2-Octen-1-ylbutanedioic acid is 228.14 g/mol.
Where can I buy (2E)-2-Octen-1-ylbutanedioic acid?
You can request a quote for (2E)-2-Octen-1-ylbutanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-Octen-1-ylbutanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-Octen-1-ylbutanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.