2-Propenoic acid, 2-methyl-, 1,1'-(2-butyne-1,4-diyl) ester
TL;DR: 2-Propenoic acid, 2-methyl-, 1,1'-(2-butyne-1,4-diyl) ester (CAS 67905-43-5) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylprop-2-enoyloxy)but-2-ynyl 2-methylprop-2-enoate
Also Known As: 1,4-Butynediol dimethacrylate, 2-Butyne-1,4-diol dimethacrylate, 2-Butyne-1,4-diyl bismethacrylate, 2-butyne-1,4-diylbismethacrylate, but-2-yne-1,4-diyl bis(2-methylacrylate)
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 67905-43-5 |
|---|---|
| SMILES | CC(=C)C(=O)OCC#CCOC(=O)C(=C)C |
| InChIKey | LFWWWRPUVDIHKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 2-methyl-, 1,1'-(2-butyne-1,4-diyl) ester (CAS 67905-43-5), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 4-(2-methylprop-2-enoyloxy)but-2-ynyl 2-methylprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-methyl-, 1,1'-(2-butyne-1,4-diyl) ester
Property Insights of 2-Propenoic acid, 2-methyl-, 1,1'-(2-butyne-1,4-diyl) ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-methyl-, 1,1'-(2-butyne-1,4-diyl) ester. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Propenoic acid, 2-methyl-, 1,1'-(2-butyne-1,4-diyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-methyl-, 1,1'-(2-butyne-1,4-diyl) ester has 0 hydrogen bond donor(s) and 4 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-Propenoic acid, 2-methyl-, 1,1'-(2-butyne-1,4-diyl) ester?
The CAS number of 2-Propenoic acid, 2-methyl-, 1,1'-(2-butyne-1,4-diyl) ester is 67905-43-5.
What is the molecular formula of 2-Propenoic acid, 2-methyl-, 1,1'-(2-butyne-1,4-diyl) ester?
The molecular formula of 2-Propenoic acid, 2-methyl-, 1,1'-(2-butyne-1,4-diyl) ester is C12H14O4.
What is the molecular weight of 2-Propenoic acid, 2-methyl-, 1,1'-(2-butyne-1,4-diyl) ester?
The molecular weight of 2-Propenoic acid, 2-methyl-, 1,1'-(2-butyne-1,4-diyl) ester is 222.09 g/mol.
Where can I buy 2-Propenoic acid, 2-methyl-, 1,1'-(2-butyne-1,4-diyl) ester?
You can request a quote for 2-Propenoic acid, 2-methyl-, 1,1'-(2-butyne-1,4-diyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 2-methyl-, 1,1'-(2-butyne-1,4-diyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-methyl-, 1,1'-(2-butyne-1,4-diyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.