2-(2-Octen-1-yl)butanedioic acid
TL;DR: 2-(2-Octen-1-yl)butanedioic acid (CAS 138844-85-6) 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-oct-2-enylbutanedioic acid
Also Known As: n-2-octenylsuccinic acid, 2-oct-2-enylbutanedioic acid, Butanedioic acid, 2-(2-octen-1-yl)-, 2-(2-Octen-1-yl)butanedioic acid, 2-Octenylsuccinic acid, (2E)-
| 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 | 138844-85-6 |
|---|---|
| SMILES | CCCCCC=CCC(CC(=O)O)C(=O)O |
Product Overview
2-(2-Octen-1-yl)butanedioic acid (CAS 138844-85-6), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: 2-oct-2-enylbutanedioic acid.
Chemical Property Profile of 2-(2-Octen-1-yl)butanedioic acid
Property Insights of 2-(2-Octen-1-yl)butanedioic acid
The XLogP value of 2.6885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Octen-1-yl)butanedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Octen-1-yl)butanedioic acid. Following Lipinski's Rule of Five, 2-(2-Octen-1-yl)butanedioic 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 2-(2-Octen-1-yl)butanedioic acid?
The CAS number of 2-(2-Octen-1-yl)butanedioic acid is 138844-85-6.
What is the molecular formula of 2-(2-Octen-1-yl)butanedioic acid?
The molecular formula of 2-(2-Octen-1-yl)butanedioic acid is C12H20O4.
What is the molecular weight of 2-(2-Octen-1-yl)butanedioic acid?
The molecular weight of 2-(2-Octen-1-yl)butanedioic acid is 228.14 g/mol.
Where can I buy 2-(2-Octen-1-yl)butanedioic acid?
You can request a quote for 2-(2-Octen-1-yl)butanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Octen-1-yl)butanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Octen-1-yl)butanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.