3-Butenoic acid, 3-methyl-4-p-tolyl-
TL;DR: 3-Butenoic acid, 3-methyl-4-p-tolyl- (CAS 91495-67-9) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-methyl-4-(4-methylphenyl)but-3-enoic acid
Also Known As: 3-Methyl-4-p-tolyl-3-butenoic acid, 3-BUTENOIC ACID, 3-METHYL-4-p-TOLYL-, 3-methyl-4-(4-methylphenyl)but-3-enoic acid, (E)-3-methyl-4-(4-methylphenyl)but-3-enoic acid, RefChem:1067486
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 2.87302 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 347.08942 |
Chemical Identifiers
| CAS Number | 91495-67-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C(\C)/CC(=O)O |
Product Overview
3-Butenoic acid, 3-methyl-4-p-tolyl- (CAS 91495-67-9), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: (E)-3-methyl-4-(4-methylphenyl)but-3-enoic acid.
Chemical Property Profile of 3-Butenoic acid, 3-methyl-4-p-tolyl-
Property Insights of 3-Butenoic acid, 3-methyl-4-p-tolyl-
The XLogP value of 2.87302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butenoic acid, 3-methyl-4-p-tolyl-. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Butenoic acid, 3-methyl-4-p-tolyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butenoic acid, 3-methyl-4-p-tolyl- 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, 3-methyl-4-p-tolyl-?
The CAS number of 3-Butenoic acid, 3-methyl-4-p-tolyl- is 91495-67-9.
What is the molecular formula of 3-Butenoic acid, 3-methyl-4-p-tolyl-?
The molecular formula of 3-Butenoic acid, 3-methyl-4-p-tolyl- is C12H14O2.
What is the molecular weight of 3-Butenoic acid, 3-methyl-4-p-tolyl-?
The molecular weight of 3-Butenoic acid, 3-methyl-4-p-tolyl- is 190.10 g/mol.
Where can I buy 3-Butenoic acid, 3-methyl-4-p-tolyl-?
You can request a quote for 3-Butenoic acid, 3-methyl-4-p-tolyl- 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, 3-methyl-4-p-tolyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Butenoic acid, 3-methyl-4-p-tolyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.