(E)-4-oxo-4-(phenyl(3,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)amino)but-2-enoic acid
TL;DR: (E)-4-oxo-4-(phenyl(3,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)amino)but-2-enoic acid (CAS 671773-66-3) is a chemical compound with molecular formula C24H31NO3 and molecular weight 381.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-oxo-4-(N-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)anilino)but-2-enoic acid
Also Known As: (E)-4-oxo-4-(phenyl(3,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)amino)but-2-enoic acid, (2E)-4-oxo-4-[phenyl(3,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)amino]but-2-enoic acid, (E)-4-oxo-4-(N-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)anilino)but-2-enoic acid, 3-[phenyl-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)carbamoyl]prop-2-enoic Acid
| Molecular Formula | C24H31NO3 |
|---|---|
| Molecular Weight | 381.23 g/mol |
| LogP | 5.3557 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.2304 |
| Heavy Atoms | 28 |
| Complexity | 817.51184 |
Chemical Identifiers
| CAS Number | 671773-66-3 |
|---|---|
| SMILES | CC1(CCCC2=C1CC(C(C2)N(C3=CC=CC=C3)C(=O)/C=C/C(=O)O)(C)C)C |
Product Overview
(E)-4-oxo-4-(phenyl(3,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)amino)but-2-enoic acid (CAS 671773-66-3), with molecular formula C24H31NO3 and molecular weight 381.23 g/mol. IUPAC: (E)-4-oxo-4-(N-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)anilino)but-2-enoic acid.
Chemical Property Profile of (E)-4-oxo-4-(phenyl(3,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)amino)but-2-enoic acid
Property Insights of (E)-4-oxo-4-(phenyl(3,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)amino)but-2-enoic acid
The XLogP value of 5.3557 indicates that (E)-4-oxo-4-(phenyl(3,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)amino)but-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, (E)-4-oxo-4-(phenyl(3,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)amino)but-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-oxo-4-(phenyl(3,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)amino)but-2-enoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-4-oxo-4-(phenyl(3,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)amino)but-2-enoic acid?
The CAS number of (E)-4-oxo-4-(phenyl(3,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)amino)but-2-enoic acid is 671773-66-3.
What is the molecular formula of (E)-4-oxo-4-(phenyl(3,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)amino)but-2-enoic acid?
The molecular formula of (E)-4-oxo-4-(phenyl(3,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)amino)but-2-enoic acid is C24H31NO3.
What is the molecular weight of (E)-4-oxo-4-(phenyl(3,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)amino)but-2-enoic acid?
The molecular weight of (E)-4-oxo-4-(phenyl(3,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)amino)but-2-enoic acid is 381.23 g/mol.
Where can I buy (E)-4-oxo-4-(phenyl(3,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)amino)but-2-enoic acid?
You can request a quote for (E)-4-oxo-4-(phenyl(3,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)amino)but-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 (E)-4-oxo-4-(phenyl(3,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)amino)but-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-oxo-4-(phenyl(3,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)amino)but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.