![2-Butenedioic acid (2Z)-, mono[2-[(1-oxododecyl)amino]ethyl] ester structure](/static/products/5877/5877-44-1.webp)
2-Butenedioic acid (2Z)-, mono[2-[(1-oxododecyl)amino]ethyl] ester
TL;DR: 2-Butenedioic acid (2Z)-, mono[2-[(1-oxododecyl)amino]ethyl] ester (CAS 5877-44-1) is a chemical compound with molecular formula C18H31NO5 and molecular weight 341.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(dodecanoylamino)ethoxy]-4-oxobut-2-enoic acid
Also Known As: (Z)-2-Butenedioic acid hydrogen 1-[2-[(1-oxododecyl)amino]ethyl] ester, 2-Butenedioic acid (2Z)-, mono[2-[(1-oxododecyl)amino]ethyl] ester
| Molecular Formula | C18H31NO5 |
|---|---|
| Molecular Weight | 341.22 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Exact Mass | 341.2202 |
| Heavy Atoms | 24 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 5877-44-1 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)NCCOC(=O)C=CC(=O)O |
| InChIKey | LGOGBKVYHAJYEP-UHFFFAOYSA-N |
Product Overview
2-Butenedioic acid (2Z)-, mono[2-[(1-oxododecyl)amino]ethyl] ester (CAS 5877-44-1), with molecular formula C18H31NO5 and molecular weight 341.22 g/mol. IUPAC: 4-[2-(dodecanoylamino)ethoxy]-4-oxobut-2-enoic acid.
Chemical Property Profile of 2-Butenedioic acid (2Z)-, mono[2-[(1-oxododecyl)amino]ethyl] ester
Property Insights of 2-Butenedioic acid (2Z)-, mono[2-[(1-oxododecyl)amino]ethyl] ester
The XLogP value of 4.4 indicates that 2-Butenedioic acid (2Z)-, mono[2-[(1-oxododecyl)amino]ethyl] ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenedioic acid (2Z)-, mono[2-[(1-oxododecyl)amino]ethyl] ester. Following Lipinski's Rule of Five, 2-Butenedioic acid (2Z)-, mono[2-[(1-oxododecyl)amino]ethyl] ester 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 2-Butenedioic acid (2Z)-, mono[2-[(1-oxododecyl)amino]ethyl] ester?
The CAS number of 2-Butenedioic acid (2Z)-, mono[2-[(1-oxododecyl)amino]ethyl] ester is 5877-44-1.
What is the molecular formula of 2-Butenedioic acid (2Z)-, mono[2-[(1-oxododecyl)amino]ethyl] ester?
The molecular formula of 2-Butenedioic acid (2Z)-, mono[2-[(1-oxododecyl)amino]ethyl] ester is C18H31NO5.
What is the molecular weight of 2-Butenedioic acid (2Z)-, mono[2-[(1-oxododecyl)amino]ethyl] ester?
The molecular weight of 2-Butenedioic acid (2Z)-, mono[2-[(1-oxododecyl)amino]ethyl] ester is 341.22 g/mol.
Where can I buy 2-Butenedioic acid (2Z)-, mono[2-[(1-oxododecyl)amino]ethyl] ester?
You can request a quote for 2-Butenedioic acid (2Z)-, mono[2-[(1-oxododecyl)amino]ethyl] ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenedioic acid (2Z)-, mono[2-[(1-oxododecyl)amino]ethyl] ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenedioic acid (2Z)-, mono[2-[(1-oxododecyl)amino]ethyl] ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.