2-Butenoic acid, 3-methyl-, 2-propynyl ester
TL;DR: 2-Butenoic acid, 3-methyl-, 2-propynyl ester (CAS 51443-27-7) is a chemical compound with molecular formula C8H10O2 and molecular weight 138.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl 3-methylbut-2-enoate
Also Known As: prop-2-ynyl 3-methylbut-2-enoate, AI3-37959, 2-Butenoic acid, 3-methyl-, 2-propynyl ester, PROP-2-YN-1-YL 3-METHYLBUT-2-ENOATE, 2-Butenoic acid,3-methyl-,2-propynyl ester
| Molecular Formula | C8H10O2 |
|---|---|
| Molecular Weight | 138.07 g/mol |
| LogP | 1.129 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 138.06808 |
| Heavy Atoms | 10 |
| Complexity | 179.9245 |
Chemical Identifiers
| CAS Number | 51443-27-7 |
|---|---|
| SMILES | CC(=CC(=O)OCC#C)C |
Product Overview
2-Butenoic acid, 3-methyl-, 2-propynyl ester (CAS 51443-27-7), with molecular formula C8H10O2 and molecular weight 138.07 g/mol. IUPAC: prop-2-ynyl 3-methylbut-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 3-methyl-, 2-propynyl ester
Property Insights of 2-Butenoic acid, 3-methyl-, 2-propynyl ester
The XLogP value of 1.129 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 3-methyl-, 2-propynyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Butenoic acid, 3-methyl-, 2-propynyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 3-methyl-, 2-propynyl ester 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, 3-methyl-, 2-propynyl ester?
The CAS number of 2-Butenoic acid, 3-methyl-, 2-propynyl ester is 51443-27-7.
What is the molecular formula of 2-Butenoic acid, 3-methyl-, 2-propynyl ester?
The molecular formula of 2-Butenoic acid, 3-methyl-, 2-propynyl ester is C8H10O2.
What is the molecular weight of 2-Butenoic acid, 3-methyl-, 2-propynyl ester?
The molecular weight of 2-Butenoic acid, 3-methyl-, 2-propynyl ester is 138.07 g/mol.
Where can I buy 2-Butenoic acid, 3-methyl-, 2-propynyl ester?
You can request a quote for 2-Butenoic acid, 3-methyl-, 2-propynyl ester 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-propynyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 3-methyl-, 2-propynyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.