![4-[Bis(2-ethylhexyl)amino]-4-oxobut-2-enoic acid structure](/static/products/855/85508-27-6.png)
4-[Bis(2-ethylhexyl)amino]-4-oxobut-2-enoic acid
TL;DR: 4-[Bis(2-ethylhexyl)amino]-4-oxobut-2-enoic acid (CAS 85508-27-6) is a chemical compound with molecular formula C20H37NO3 and molecular weight 339.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-ethylhexyl)amino]-4-oxobut-2-enoic acid
Also Known As: 4-[bis(2-ethylhexyl)amino]-4-oxobut-2-enoic acid, 2-Butenoic acid,4-[bis(2-ethylhexyl)amino]-4-oxo-, 4-[BIS(2-ETHYLHEXYL)AMINO]-4-OXO-2-BUTENOIC ACID
| Molecular Formula | C20H37NO3 |
|---|---|
| Molecular Weight | 339.28 g/mol |
| LogP | 4.8886 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 339.27734 |
| Heavy Atoms | 24 |
| Complexity | 361.08026 |
Chemical Identifiers
| CAS Number | 85508-27-6 |
|---|---|
| SMILES | CCCCC(CC)CN(CC(CC)CCCC)C(=O)C=CC(=O)O |
Product Overview
4-[Bis(2-ethylhexyl)amino]-4-oxobut-2-enoic acid (CAS 85508-27-6), with molecular formula C20H37NO3 and molecular weight 339.28 g/mol. IUPAC: 4-[bis(2-ethylhexyl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-[Bis(2-ethylhexyl)amino]-4-oxobut-2-enoic acid
Property Insights of 4-[Bis(2-ethylhexyl)amino]-4-oxobut-2-enoic acid
The XLogP value of 4.8886 indicates that 4-[Bis(2-ethylhexyl)amino]-4-oxobut-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, 4-[Bis(2-ethylhexyl)amino]-4-oxobut-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[Bis(2-ethylhexyl)amino]-4-oxobut-2-enoic acid has 1 hydrogen bond donor(s) and 2 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 4-[Bis(2-ethylhexyl)amino]-4-oxobut-2-enoic acid?
The CAS number of 4-[Bis(2-ethylhexyl)amino]-4-oxobut-2-enoic acid is 85508-27-6.
What is the molecular formula of 4-[Bis(2-ethylhexyl)amino]-4-oxobut-2-enoic acid?
The molecular formula of 4-[Bis(2-ethylhexyl)amino]-4-oxobut-2-enoic acid is C20H37NO3.
What is the molecular weight of 4-[Bis(2-ethylhexyl)amino]-4-oxobut-2-enoic acid?
The molecular weight of 4-[Bis(2-ethylhexyl)amino]-4-oxobut-2-enoic acid is 339.28 g/mol.
Where can I buy 4-[Bis(2-ethylhexyl)amino]-4-oxobut-2-enoic acid?
You can request a quote for 4-[Bis(2-ethylhexyl)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-ethylhexyl)amino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[Bis(2-ethylhexyl)amino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.