2-Butenoic acid, 3-methyl-2-(1-methylethenyl)-
TL;DR: 2-Butenoic acid, 3-methyl-2-(1-methylethenyl)- (CAS 4412-05-9) is a chemical compound with molecular formula C8H12O2 and molecular weight 140.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-prop-1-en-2-ylbut-2-enoic acid
Also Known As: 2-Butenoic acid, 3-methyl-2-(1-methylethenyl)-, 3-Methyl-2-(1-methylethenyl)-2-butenoic acid, 3-methyl-2-prop-1-en-2-ylbut-2-enoic acid, 3-Methyl-2-(prop-1-en-2-yl)but-2-enoic acid
| Molecular Formula | C8H12O2 |
|---|---|
| Molecular Weight | 140.08 g/mol |
| LogP | 1.9835 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 140.08372 |
| Heavy Atoms | 10 |
| Complexity | 179.30313 |
Chemical Identifiers
| CAS Number | 4412-05-9 |
|---|---|
| SMILES | CC(=C(C(=C)C)C(=O)O)C |
Product Overview
2-Butenoic acid, 3-methyl-2-(1-methylethenyl)- (CAS 4412-05-9), with molecular formula C8H12O2 and molecular weight 140.08 g/mol. IUPAC: 3-methyl-2-prop-1-en-2-ylbut-2-enoic acid.
Chemical Property Profile of 2-Butenoic acid, 3-methyl-2-(1-methylethenyl)-
Property Insights of 2-Butenoic acid, 3-methyl-2-(1-methylethenyl)-
The XLogP value of 1.9835 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 3-methyl-2-(1-methylethenyl)-. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Butenoic acid, 3-methyl-2-(1-methylethenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 3-methyl-2-(1-methylethenyl)- 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 2-Butenoic acid, 3-methyl-2-(1-methylethenyl)-?
The CAS number of 2-Butenoic acid, 3-methyl-2-(1-methylethenyl)- is 4412-05-9.
What is the molecular formula of 2-Butenoic acid, 3-methyl-2-(1-methylethenyl)-?
The molecular formula of 2-Butenoic acid, 3-methyl-2-(1-methylethenyl)- is C8H12O2.
What is the molecular weight of 2-Butenoic acid, 3-methyl-2-(1-methylethenyl)-?
The molecular weight of 2-Butenoic acid, 3-methyl-2-(1-methylethenyl)- is 140.08 g/mol.
Where can I buy 2-Butenoic acid, 3-methyl-2-(1-methylethenyl)-?
You can request a quote for 2-Butenoic acid, 3-methyl-2-(1-methylethenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 3-methyl-2-(1-methylethenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 3-methyl-2-(1-methylethenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.