2-Hexylidene-3-methyl-succinic acid
TL;DR: 2-Hexylidene-3-methyl-succinic acid (CAS 98985-76-3) is a chemical compound with molecular formula C11H18O4 and molecular weight 214.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexylidene-3-methylbutanedioic acid
Also Known As: Piliformic acid, 2-hexylidene-3-methyl-succinic acid
| Molecular Formula | C11H18O4 |
|---|---|
| Molecular Weight | 214.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 214.12051 |
| Heavy Atoms | 15 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 98985-76-3 |
|---|---|
| SMILES | CCCCCC=C(C(C)C(=O)O)C(=O)O |
| InChIKey | YTUQECDNJQCQAE-UHFFFAOYSA-N |
Product Overview
2-Hexylidene-3-methyl-succinic acid (CAS 98985-76-3), with molecular formula C11H18O4 and molecular weight 214.12 g/mol. IUPAC: 2-hexylidene-3-methylbutanedioic acid.
Chemical Property Profile of 2-Hexylidene-3-methyl-succinic acid
Property Insights of 2-Hexylidene-3-methyl-succinic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hexylidene-3-methyl-succinic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hexylidene-3-methyl-succinic acid. Following Lipinski's Rule of Five, 2-Hexylidene-3-methyl-succinic 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-Hexylidene-3-methyl-succinic acid?
The CAS number of 2-Hexylidene-3-methyl-succinic acid is 98985-76-3.
What is the molecular formula of 2-Hexylidene-3-methyl-succinic acid?
The molecular formula of 2-Hexylidene-3-methyl-succinic acid is C11H18O4.
What is the molecular weight of 2-Hexylidene-3-methyl-succinic acid?
The molecular weight of 2-Hexylidene-3-methyl-succinic acid is 214.12 g/mol.
Where can I buy 2-Hexylidene-3-methyl-succinic acid?
You can request a quote for 2-Hexylidene-3-methyl-succinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hexylidene-3-methyl-succinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexylidene-3-methyl-succinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.