4-(4-Chlorophenyl)-2,2,3-trimethylbut-3-enoic acid
TL;DR: 4-(4-Chlorophenyl)-2,2,3-trimethylbut-3-enoic acid (CAS 55078-30-3) is a chemical compound with molecular formula C13H15ClO2 and molecular weight 238.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-2,2,3-trimethylbut-3-enoic acid
Also Known As: NCIStruc1_000797, NCIStruc2_000768, 4-(4-chlorophenyl)-2,2,3-trimethylbut-3-enoic acid, NCI60_002565, 2,2,3-Trimethyl-4-phenyl-3-butenoic acid
| Molecular Formula | C13H15ClO2 |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.07605 |
| Heavy Atoms | 16 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 55078-30-3 |
|---|---|
| SMILES | CC(=CC1=CC=C(C=C1)Cl)C(C)(C)C(=O)O |
| InChIKey | ZUJSAJQUBXASPX-UHFFFAOYSA-N |
Product Overview
4-(4-Chlorophenyl)-2,2,3-trimethylbut-3-enoic acid (CAS 55078-30-3), with molecular formula C13H15ClO2 and molecular weight 238.08 g/mol. IUPAC: 4-(4-chlorophenyl)-2,2,3-trimethylbut-3-enoic acid.
Chemical Property Profile of 4-(4-Chlorophenyl)-2,2,3-trimethylbut-3-enoic acid
Property Insights of 4-(4-Chlorophenyl)-2,2,3-trimethylbut-3-enoic acid
The XLogP value of 4.2 indicates that 4-(4-Chlorophenyl)-2,2,3-trimethylbut-3-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4-(4-Chlorophenyl)-2,2,3-trimethylbut-3-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-2,2,3-trimethylbut-3-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-(4-Chlorophenyl)-2,2,3-trimethylbut-3-enoic acid?
The CAS number of 4-(4-Chlorophenyl)-2,2,3-trimethylbut-3-enoic acid is 55078-30-3.
What is the molecular formula of 4-(4-Chlorophenyl)-2,2,3-trimethylbut-3-enoic acid?
The molecular formula of 4-(4-Chlorophenyl)-2,2,3-trimethylbut-3-enoic acid is C13H15ClO2.
What is the molecular weight of 4-(4-Chlorophenyl)-2,2,3-trimethylbut-3-enoic acid?
The molecular weight of 4-(4-Chlorophenyl)-2,2,3-trimethylbut-3-enoic acid is 238.08 g/mol.
Where can I buy 4-(4-Chlorophenyl)-2,2,3-trimethylbut-3-enoic acid?
You can request a quote for 4-(4-Chlorophenyl)-2,2,3-trimethylbut-3-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-(4-Chlorophenyl)-2,2,3-trimethylbut-3-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenyl)-2,2,3-trimethylbut-3-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.