![4-[Bis[2-(octadecanoylamino)ethyl]amino]-4-oxobut-2-enoic acid structure](/static/products/941/94134-72-2.png)
4-[Bis[2-(octadecanoylamino)ethyl]amino]-4-oxobut-2-enoic acid
TL;DR: 4-[Bis[2-(octadecanoylamino)ethyl]amino]-4-oxobut-2-enoic acid (CAS 94134-72-2) is a chemical compound with molecular formula C44H83N3O5 and molecular weight 733.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis[2-(octadecanoylamino)ethyl]amino]-4-oxobut-2-enoic acid
Also Known As: EINECS 302-841-1, 4-[BIS[2-[(1-OXOOCTADECYL)AMINO]ETHYL]AMINO]-4-OXOISOCROTONIC ACID, 4-(Bis(2-((1-oxooctadecyl)amino)ethyl)amino)-4-oxoisocrotonic acid
| Molecular Formula | C44H83N3O5 |
|---|---|
| Molecular Weight | 733.63 g/mol |
| LogP | 11.2112 |
| Topological Polar Surface Area | 115.81 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 40 |
| Exact Mass | 733.6333 |
| Heavy Atoms | 52 |
| Complexity | 825.943 |
Chemical Identifiers
| CAS Number | 94134-72-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCC)C(=O)C=CC(=O)O |
Product Overview
4-[Bis[2-(octadecanoylamino)ethyl]amino]-4-oxobut-2-enoic acid (CAS 94134-72-2), with molecular formula C44H83N3O5 and molecular weight 733.63 g/mol. IUPAC: 4-[bis[2-(octadecanoylamino)ethyl]amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-[Bis[2-(octadecanoylamino)ethyl]amino]-4-oxobut-2-enoic acid
Property Insights of 4-[Bis[2-(octadecanoylamino)ethyl]amino]-4-oxobut-2-enoic acid
The XLogP value of 11.2112 indicates that 4-[Bis[2-(octadecanoylamino)ethyl]amino]-4-oxobut-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[Bis[2-(octadecanoylamino)ethyl]amino]-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-[Bis[2-(octadecanoylamino)ethyl]amino]-4-oxobut-2-enoic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[Bis[2-(octadecanoylamino)ethyl]amino]-4-oxobut-2-enoic acid?
The CAS number of 4-[Bis[2-(octadecanoylamino)ethyl]amino]-4-oxobut-2-enoic acid is 94134-72-2.
What is the molecular formula of 4-[Bis[2-(octadecanoylamino)ethyl]amino]-4-oxobut-2-enoic acid?
The molecular formula of 4-[Bis[2-(octadecanoylamino)ethyl]amino]-4-oxobut-2-enoic acid is C44H83N3O5.
What is the molecular weight of 4-[Bis[2-(octadecanoylamino)ethyl]amino]-4-oxobut-2-enoic acid?
The molecular weight of 4-[Bis[2-(octadecanoylamino)ethyl]amino]-4-oxobut-2-enoic acid is 733.63 g/mol.
Where can I buy 4-[Bis[2-(octadecanoylamino)ethyl]amino]-4-oxobut-2-enoic acid?
You can request a quote for 4-[Bis[2-(octadecanoylamino)ethyl]amino]-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[Bis[2-(octadecanoylamino)ethyl]amino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[Bis[2-(octadecanoylamino)ethyl]amino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.