3-Butenoic acid, 4-(p-chlorophenyl)-3-methyl-
TL;DR: 3-Butenoic acid, 4-(p-chlorophenyl)-3-methyl- (CAS 91121-52-7) is a chemical compound with molecular formula C11H11ClO2 and molecular weight 210.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(4-chlorophenyl)-3-methylbut-3-enoic acid
Also Known As: 4-(p-Chlorophenyl)-3-methyl-3-butenoic acid, 4-(4-chlorophenyl)-3-methylbut-3-enoic acid, 3-BUTENOIC ACID, 4-(p-CHLOROPHENYL)-3-METHYL-, (E)-4-(4-chlorophenyl)-3-methylbut-3-enoic acid, 4-(4-CHLOROPHENYL)-3-METHYL-3-BUTENOIC ACID
| Molecular Formula | C11H11ClO2 |
|---|---|
| Molecular Weight | 210.04 g/mol |
| LogP | 3.218 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.04475 |
| Heavy Atoms | 14 |
| Complexity | 352.0552 |
Chemical Identifiers
| CAS Number | 91121-52-7 |
|---|---|
| SMILES | C/C(=C\C1=CC=C(C=C1)Cl)/CC(=O)O |
Product Overview
3-Butenoic acid, 4-(p-chlorophenyl)-3-methyl- (CAS 91121-52-7), with molecular formula C11H11ClO2 and molecular weight 210.04 g/mol. IUPAC: (E)-4-(4-chlorophenyl)-3-methylbut-3-enoic acid.
Chemical Property Profile of 3-Butenoic acid, 4-(p-chlorophenyl)-3-methyl-
Property Insights of 3-Butenoic acid, 4-(p-chlorophenyl)-3-methyl-
The XLogP value of 3.218 indicates that 3-Butenoic acid, 4-(p-chlorophenyl)-3-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Butenoic acid, 4-(p-chlorophenyl)-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butenoic acid, 4-(p-chlorophenyl)-3-methyl- has 1 hydrogen bond donor(s) and 1 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 3-Butenoic acid, 4-(p-chlorophenyl)-3-methyl-?
The CAS number of 3-Butenoic acid, 4-(p-chlorophenyl)-3-methyl- is 91121-52-7.
What is the molecular formula of 3-Butenoic acid, 4-(p-chlorophenyl)-3-methyl-?
The molecular formula of 3-Butenoic acid, 4-(p-chlorophenyl)-3-methyl- is C11H11ClO2.
What is the molecular weight of 3-Butenoic acid, 4-(p-chlorophenyl)-3-methyl-?
The molecular weight of 3-Butenoic acid, 4-(p-chlorophenyl)-3-methyl- is 210.04 g/mol.
Where can I buy 3-Butenoic acid, 4-(p-chlorophenyl)-3-methyl-?
You can request a quote for 3-Butenoic acid, 4-(p-chlorophenyl)-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butenoic acid, 4-(p-chlorophenyl)-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Butenoic acid, 4-(p-chlorophenyl)-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.