3-(4-Methylpiperazine-1-carbonyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid
TL;DR: 3-(4-Methylpiperazine-1-carbonyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid (CAS 1113025-87-8) is a chemical compound with molecular formula C13H20N2O4 and molecular weight 268.1423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: EMPM, (Rac)-LB-100, LB 1, LB 100, 3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Technical Specifications
| Molecular Formula | C13H20N2O4 |
| Molecular Weight | 268.1423 g/mol |
| XLogP | -3.0 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.1423 Da |
| Heavy Atoms | 19 |
| Complexity | 392.0 |
| SMILES | CN1CCN(CC1)C(=O)C2C3CCC(C2C(=O)O)O3 |
| InChIKey | JUQMLSGOTNKJKI-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Methylpiperazine-1-carbonyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid
Property Insights of 3-(4-Methylpiperazine-1-carbonyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid
The XLogP value of -3.0 indicates that 3-(4-Methylpiperazine-1-carbonyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methylpiperazine-1-carbonyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid. Following Lipinski's Rule of Five, 3-(4-Methylpiperazine-1-carbonyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(4-Methylpiperazine-1-carbonyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid?
The CAS number of 3-(4-Methylpiperazine-1-carbonyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid is 1113025-87-8.
What is the molecular formula of 3-(4-Methylpiperazine-1-carbonyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid?
The molecular formula of 3-(4-Methylpiperazine-1-carbonyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid is C13H20N2O4.
What is the molecular weight of 3-(4-Methylpiperazine-1-carbonyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid?
The molecular weight of 3-(4-Methylpiperazine-1-carbonyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid is 268.1423 g/mol.
Where can I buy 3-(4-Methylpiperazine-1-carbonyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid?
You can request a quote for 3-(4-Methylpiperazine-1-carbonyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Methylpiperazine-1-carbonyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3-(4-Methylpiperazine-1-carbonyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.