2-Hexadec-1-enylbutanedioic acid
TL;DR: 2-Hexadec-1-enylbutanedioic acid (CAS 54111-93-2) is a chemical compound with molecular formula C20H36O4 and molecular weight 340.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexadec-1-enylbutanedioic acid
Also Known As: Hexadecenylsuccinic acid, Hexadecenylsuccinicacid, 1 Hexadecenylsuccinic acid, 2-hexadec-1-enylbutanedioic acid, EINECS 258-980-2
| Molecular Formula | C20H36O4 |
|---|---|
| Molecular Weight | 340.26 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 340.26135 |
| Heavy Atoms | 24 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 54111-93-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCC=CC(CC(=O)O)C(=O)O |
| InChIKey | AAHZZGHPCKJNNZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hexadec-1-enylbutanedioic acid (CAS 54111-93-2), with molecular formula C20H36O4 and molecular weight 340.26 g/mol. IUPAC: 2-hexadec-1-enylbutanedioic acid.
Chemical Property Profile of 2-Hexadec-1-enylbutanedioic acid
Property Insights of 2-Hexadec-1-enylbutanedioic acid
The XLogP value of 7.2 indicates that 2-Hexadec-1-enylbutanedioic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hexadec-1-enylbutanedioic acid. Following Lipinski's Rule of Five, 2-Hexadec-1-enylbutanedioic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Hexadec-1-enylbutanedioic acid?
The CAS number of 2-Hexadec-1-enylbutanedioic acid is 54111-93-2.
What is the molecular formula of 2-Hexadec-1-enylbutanedioic acid?
The molecular formula of 2-Hexadec-1-enylbutanedioic acid is C20H36O4.
What is the molecular weight of 2-Hexadec-1-enylbutanedioic acid?
The molecular weight of 2-Hexadec-1-enylbutanedioic acid is 340.26 g/mol.
Where can I buy 2-Hexadec-1-enylbutanedioic acid?
You can request a quote for 2-Hexadec-1-enylbutanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hexadec-1-enylbutanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexadec-1-enylbutanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.