2-Butenoic acid, 2-methyl-, 1-methylpropyl ester, (E)-
TL;DR: 2-Butenoic acid, 2-methyl-, 1-methylpropyl ester, (E)- (CAS 28127-58-4) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl (E)-2-methylbut-2-enoate
Also Known As: sec-Butyl tiglate, SEC-BUTYLTIGLATE, sec-Butyl tiglate, 97%, Tiglic acid sec-butyl ester, butan-2-yl (E)-2-methylbut-2-enoate
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.2943 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 158.94566 |
Chemical Identifiers
| CAS Number | 28127-58-4 |
|---|---|
| SMILES | CCC(C)OC(=O)/C(=C/C)/C |
Product Overview
2-Butenoic acid, 2-methyl-, 1-methylpropyl ester, (E)- (CAS 28127-58-4), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: butan-2-yl (E)-2-methylbut-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 2-methyl-, 1-methylpropyl ester, (E)-
Property Insights of 2-Butenoic acid, 2-methyl-, 1-methylpropyl ester, (E)-
The XLogP value of 2.2943 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 2-methyl-, 1-methylpropyl ester, (E)-. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Butenoic acid, 2-methyl-, 1-methylpropyl ester, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 2-methyl-, 1-methylpropyl ester, (E)- has 0 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 2-Butenoic acid, 2-methyl-, 1-methylpropyl ester, (E)-?
The CAS number of 2-Butenoic acid, 2-methyl-, 1-methylpropyl ester, (E)- is 28127-58-4.
What is the molecular formula of 2-Butenoic acid, 2-methyl-, 1-methylpropyl ester, (E)-?
The molecular formula of 2-Butenoic acid, 2-methyl-, 1-methylpropyl ester, (E)- is C9H16O2.
What is the molecular weight of 2-Butenoic acid, 2-methyl-, 1-methylpropyl ester, (E)-?
The molecular weight of 2-Butenoic acid, 2-methyl-, 1-methylpropyl ester, (E)- is 156.12 g/mol.
Where can I buy 2-Butenoic acid, 2-methyl-, 1-methylpropyl ester, (E)-?
You can request a quote for 2-Butenoic acid, 2-methyl-, 1-methylpropyl ester, (E)- 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, 2-methyl-, 1-methylpropyl ester, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 2-methyl-, 1-methylpropyl ester, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.