but-2-enedioic acid;N,N-diethylethanamine
TL;DR: but-2-enedioic acid;N,N-diethylethanamine (CAS 1069-58-5) is a chemical compound with molecular formula C10H19NO4 and molecular weight 217.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;N,N-diethylethanamine
Also Known As: (Triethylammonium) maleate, 2-Butenedioic acid, compd. with N,N-diethylethanamine (1:1), But-2-enedioic acid--N,N-diethylethanamine (1/1)
| Molecular Formula | C10H19NO4 |
|---|---|
| Molecular Weight | 217.13 g/mol |
| LogP | 1.0599 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 217.13141 |
| Heavy Atoms | 15 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 1069-58-5 |
|---|---|
| SMILES | CCN(CC)CC.C(=CC(=O)O)C(=O)O |
| InChIKey | BGBNXIKULUCCOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
but-2-enedioic acid;N,N-diethylethanamine (CAS 1069-58-5), with molecular formula C10H19NO4 and molecular weight 217.13 g/mol. IUPAC: but-2-enedioic acid;N,N-diethylethanamine.
Chemical Property Profile of but-2-enedioic acid;N,N-diethylethanamine
Property Insights of but-2-enedioic acid;N,N-diethylethanamine
The XLogP value of 1.0599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for but-2-enedioic acid;N,N-diethylethanamine. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for but-2-enedioic acid;N,N-diethylethanamine. Following Lipinski's Rule of Five, but-2-enedioic acid;N,N-diethylethanamine has 2 hydrogen bond donor(s) and 5 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 but-2-enedioic acid;N,N-diethylethanamine?
The CAS number of but-2-enedioic acid;N,N-diethylethanamine is 1069-58-5.
What is the molecular formula of but-2-enedioic acid;N,N-diethylethanamine?
The molecular formula of but-2-enedioic acid;N,N-diethylethanamine is C10H19NO4.
What is the molecular weight of but-2-enedioic acid;N,N-diethylethanamine?
The molecular weight of but-2-enedioic acid;N,N-diethylethanamine is 217.13 g/mol.
Where can I buy but-2-enedioic acid;N,N-diethylethanamine?
You can request a quote for but-2-enedioic acid;N,N-diethylethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for but-2-enedioic acid;N,N-diethylethanamine?
Yes, KEHONG BIO provides custom synthesis services for but-2-enedioic acid;N,N-diethylethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.