(E)-4-(1,2,3,4-Tetrahydronaphthalen-6-Yl)-4-Oxobut-2-Enoic Acid
TL;DR: (E)-4-(1,2,3,4-Tetrahydronaphthalen-6-Yl)-4-Oxobut-2-Enoic Acid (CAS 71149-99-0) is a chemical compound with molecular formula C14H14O3 and molecular weight 230.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)but-2-enoic acid
Also Known As: (E)-4-(1,2,3,4-Tetrahydronaphthalen-6-yl)-4-oxobut-2-enoic acid, (E)-4-oxo-4-tetralin-6-yl-but-2-enoic acid, (E)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)but-2-enoic acid, 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)but-2-enoic Acid, (2E)-4-oxo-4-(2-5,6,7,8-tetrahydronaphthyl)but-2-enoic acid
| Molecular Formula | C14H14O3 |
|---|---|
| Molecular Weight | 230.09 g/mol |
| LogP | 2.3889 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.0943 |
| Heavy Atoms | 17 |
| Complexity | 486.24072 |
Chemical Identifiers
| CAS Number | 71149-99-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C=CC(=C2)C(=O)/C=C/C(=O)O |
Product Overview
(E)-4-(1,2,3,4-Tetrahydronaphthalen-6-Yl)-4-Oxobut-2-Enoic Acid (CAS 71149-99-0), with molecular formula C14H14O3 and molecular weight 230.09 g/mol. IUPAC: (E)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)but-2-enoic acid.
Chemical Property Profile of (E)-4-(1,2,3,4-Tetrahydronaphthalen-6-Yl)-4-Oxobut-2-Enoic Acid
Property Insights of (E)-4-(1,2,3,4-Tetrahydronaphthalen-6-Yl)-4-Oxobut-2-Enoic Acid
The XLogP value of 2.3889 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-(1,2,3,4-Tetrahydronaphthalen-6-Yl)-4-Oxobut-2-Enoic Acid. With a topological polar surface area (TPSA) of 54.37 Ų, (E)-4-(1,2,3,4-Tetrahydronaphthalen-6-Yl)-4-Oxobut-2-Enoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-(1,2,3,4-Tetrahydronaphthalen-6-Yl)-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 (E)-4-(1,2,3,4-Tetrahydronaphthalen-6-Yl)-4-Oxobut-2-Enoic Acid?
The CAS number of (E)-4-(1,2,3,4-Tetrahydronaphthalen-6-Yl)-4-Oxobut-2-Enoic Acid is 71149-99-0.
What is the molecular formula of (E)-4-(1,2,3,4-Tetrahydronaphthalen-6-Yl)-4-Oxobut-2-Enoic Acid?
The molecular formula of (E)-4-(1,2,3,4-Tetrahydronaphthalen-6-Yl)-4-Oxobut-2-Enoic Acid is C14H14O3.
What is the molecular weight of (E)-4-(1,2,3,4-Tetrahydronaphthalen-6-Yl)-4-Oxobut-2-Enoic Acid?
The molecular weight of (E)-4-(1,2,3,4-Tetrahydronaphthalen-6-Yl)-4-Oxobut-2-Enoic Acid is 230.09 g/mol.
Where can I buy (E)-4-(1,2,3,4-Tetrahydronaphthalen-6-Yl)-4-Oxobut-2-Enoic Acid?
You can request a quote for (E)-4-(1,2,3,4-Tetrahydronaphthalen-6-Yl)-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 (E)-4-(1,2,3,4-Tetrahydronaphthalen-6-Yl)-4-Oxobut-2-Enoic Acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(1,2,3,4-Tetrahydronaphthalen-6-Yl)-4-Oxobut-2-Enoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.