(E)-2,2,3-三甲基-4-苯基丁-3-烯酸
TL;DR: (E)-2,2,3-三甲基-4-苯基丁-3-烯酸 (CAS 55078-29-0) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2,2,3-三甲基-4-苯基丁-3-烯酸
2,2,3-trimethyl-4-phenylbut-3-enoic acid
Also Known As: 2,2,3-trimethyl-4-phenylbut-3-enoic acid, 3-Butenoic acid,2,2,3-trimethyl-4-phenyl-, (E)-2,2,3-TRIMETHYL-4-PHENYL-BUT-3-ENOIC ACID
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 55078-29-0 |
|---|---|
| SMILES | CC(=CC1=CC=CC=C1)C(C)(C)C(=O)O |
| InChIKey | GAPDJIOVEVVKED-UHFFFAOYSA-N |
Product Overview
(E)-2,2,3-三甲基-4-苯基丁-3-烯酸 (CAS 55078-29-0), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: 2,2,3-trimethyl-4-phenylbut-3-enoic acid.
Chemical Property Profile of (E)-2,2,3-三甲基-4-苯基丁-3-烯酸
Property Insights of (E)-2,2,3-三甲基-4-苯基丁-3-烯酸
The XLogP value of 3.6 indicates that (E)-2,2,3-三甲基-4-苯基丁-3-烯酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, (E)-2,2,3-三甲基-4-苯基丁-3-烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2,2,3-三甲基-4-苯基丁-3-烯酸 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)-2,2,3-三甲基-4-苯基丁-3-烯酸?
The CAS number of (E)-2,2,3-三甲基-4-苯基丁-3-烯酸 is 55078-29-0.
What is the molecular formula of (E)-2,2,3-三甲基-4-苯基丁-3-烯酸?
The molecular formula of (E)-2,2,3-三甲基-4-苯基丁-3-烯酸 is C13H16O2.
What is the molecular weight of (E)-2,2,3-三甲基-4-苯基丁-3-烯酸?
The molecular weight of (E)-2,2,3-三甲基-4-苯基丁-3-烯酸 is 204.12 g/mol.
Where can I buy (E)-2,2,3-三甲基-4-苯基丁-3-烯酸?
You can request a quote for (E)-2,2,3-三甲基-4-苯基丁-3-烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2,2,3-三甲基-4-苯基丁-3-烯酸?
Yes, KEHONG BIO provides custom synthesis services for (E)-2,2,3-三甲基-4-苯基丁-3-烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.