epsilon-N-citraconylaminocaproate
TL;DR: epsilon-N-citraconylaminocaproate (CAS 57037-01-1) is a chemical compound with molecular formula C11H15NO4 and molecular weight 225.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-methyl-2,5-dioxopyrrol-1-yl)hexanoic acid
Also Known As: epsilon-N-Citraconylaminocaproate, 6-(3-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid, 6-(3-methyl-2,5-dioxopyrrol-1-yl)hexanoic acid, 1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-3-methyl-2,5-dioxo-, J1.712.499D
| Molecular Formula | C11H15NO4 |
|---|---|
| Molecular Weight | 225.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 225.10011 |
| Heavy Atoms | 16 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 57037-01-1 |
|---|---|
| SMILES | CC1=CC(=O)N(C1=O)CCCCCC(=O)O |
| InChIKey | GZUUOOAJTRWHSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
epsilon-N-citraconylaminocaproate (CAS 57037-01-1), with molecular formula C11H15NO4 and molecular weight 225.10 g/mol. IUPAC: 6-(3-methyl-2,5-dioxopyrrol-1-yl)hexanoic acid.
Chemical Property Profile of epsilon-N-citraconylaminocaproate
Property Insights of epsilon-N-citraconylaminocaproate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for epsilon-N-citraconylaminocaproate. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for epsilon-N-citraconylaminocaproate. Following Lipinski's Rule of Five, epsilon-N-citraconylaminocaproate has 1 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 epsilon-N-citraconylaminocaproate?
The CAS number of epsilon-N-citraconylaminocaproate is 57037-01-1.
What is the molecular formula of epsilon-N-citraconylaminocaproate?
The molecular formula of epsilon-N-citraconylaminocaproate is C11H15NO4.
What is the molecular weight of epsilon-N-citraconylaminocaproate?
The molecular weight of epsilon-N-citraconylaminocaproate is 225.10 g/mol.
Where can I buy epsilon-N-citraconylaminocaproate?
You can request a quote for epsilon-N-citraconylaminocaproate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for epsilon-N-citraconylaminocaproate?
Yes, KEHONG BIO provides custom synthesis services for epsilon-N-citraconylaminocaproate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.