2-Butenoic acid, 2-methyl-, (2,5-dihydro-1-methyl-1H-pyrrole-2,3-diyl)bis(methylene) ester, (E,E)-
TL;DR: 2-Butenoic acid, 2-methyl-, (2,5-dihydro-1-methyl-1H-pyrrole-2,3-diyl)bis(methylene) ester, (E,E)- (CAS 78472-06-7) is a chemical compound with molecular formula C17H25NO4 and molecular weight 307.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-methyl-3-[[(E)-2-methylbut-2-enoyl]oxymethyl]-2,5-dihydropyrrol-2-yl]methyl (E)-2-methylbut-2-enoate
Also Known As: 2-Butenoic acid, 2-methyl-, (2,5-dihydro-1-methyl-1H-pyrrole-2,3-diyl)bis(methylene) ester, (E,E)-, [1-methyl-3-[[(E)-2-methylbut-2-enoyl]oxymethyl]-2,5-dihydropyrrol-2-yl]methyl (E)-2-methylbut-2-enoate
| Molecular Formula | C17H25NO4 |
|---|---|
| Molecular Weight | 307.18 g/mol |
| LogP | 2.2456 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.17834 |
| Heavy Atoms | 22 |
| Complexity | 516.75195 |
Chemical Identifiers
| CAS Number | 78472-06-7 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)OCC1C(=CCN1C)COC(=O)/C(=C/C)/C |
Product Overview
2-Butenoic acid, 2-methyl-, (2,5-dihydro-1-methyl-1H-pyrrole-2,3-diyl)bis(methylene) ester, (E,E)- (CAS 78472-06-7), with molecular formula C17H25NO4 and molecular weight 307.18 g/mol. IUPAC: [1-methyl-3-[[(E)-2-methylbut-2-enoyl]oxymethyl]-2,5-dihydropyrrol-2-yl]methyl (E)-2-methylbut-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 2-methyl-, (2,5-dihydro-1-methyl-1H-pyrrole-2,3-diyl)bis(methylene) ester, (E,E)-
Property Insights of 2-Butenoic acid, 2-methyl-, (2,5-dihydro-1-methyl-1H-pyrrole-2,3-diyl)bis(methylene) ester, (E,E)-
The XLogP value of 2.2456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 2-methyl-, (2,5-dihydro-1-methyl-1H-pyrrole-2,3-diyl)bis(methylene) ester, (E,E)-. With a topological polar surface area (TPSA) of 55.84 Ų, 2-Butenoic acid, 2-methyl-, (2,5-dihydro-1-methyl-1H-pyrrole-2,3-diyl)bis(methylene) ester, (E,E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 2-methyl-, (2,5-dihydro-1-methyl-1H-pyrrole-2,3-diyl)bis(methylene) ester, (E,E)- has 0 hydrogen bond donor(s) and 5 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-, (2,5-dihydro-1-methyl-1H-pyrrole-2,3-diyl)bis(methylene) ester, (E,E)-?
The CAS number of 2-Butenoic acid, 2-methyl-, (2,5-dihydro-1-methyl-1H-pyrrole-2,3-diyl)bis(methylene) ester, (E,E)- is 78472-06-7.
What is the molecular formula of 2-Butenoic acid, 2-methyl-, (2,5-dihydro-1-methyl-1H-pyrrole-2,3-diyl)bis(methylene) ester, (E,E)-?
The molecular formula of 2-Butenoic acid, 2-methyl-, (2,5-dihydro-1-methyl-1H-pyrrole-2,3-diyl)bis(methylene) ester, (E,E)- is C17H25NO4.
What is the molecular weight of 2-Butenoic acid, 2-methyl-, (2,5-dihydro-1-methyl-1H-pyrrole-2,3-diyl)bis(methylene) ester, (E,E)-?
The molecular weight of 2-Butenoic acid, 2-methyl-, (2,5-dihydro-1-methyl-1H-pyrrole-2,3-diyl)bis(methylene) ester, (E,E)- is 307.18 g/mol.
Where can I buy 2-Butenoic acid, 2-methyl-, (2,5-dihydro-1-methyl-1H-pyrrole-2,3-diyl)bis(methylene) ester, (E,E)-?
You can request a quote for 2-Butenoic acid, 2-methyl-, (2,5-dihydro-1-methyl-1H-pyrrole-2,3-diyl)bis(methylene) ester, (E,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-, (2,5-dihydro-1-methyl-1H-pyrrole-2,3-diyl)bis(methylene) ester, (E,E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 2-methyl-, (2,5-dihydro-1-methyl-1H-pyrrole-2,3-diyl)bis(methylene) ester, (E,E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.