1-Butyl-1h-pyrrole-2,5-dione-(ethenyloxy)ethene(1:1)
TL;DR: 1-Butyl-1h-pyrrole-2,5-dione-(ethenyloxy)ethene(1:1) (CAS 29706-75-0) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butylpyrrole-2,5-dione;ethenoxyethene
Also Known As: 1-butyl-1h-pyrrole-2,5-dione-(ethenyloxy)ethene(1:1), 1-butylpyrrole-2,5-dione; ethenoxyethene, 1-Butyl-1H-pyrrole-2,5-dione--(ethenyloxy)ethene (1/1)
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 2.0015 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 29706-75-0 |
|---|---|
| SMILES | CCCCN1C(=O)C=CC1=O.C=COC=C |
| InChIKey | XBHKPTNBOSEUNM-UHFFFAOYSA-N |
Product Overview
1-Butyl-1h-pyrrole-2,5-dione-(ethenyloxy)ethene(1:1) (CAS 29706-75-0), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: 1-butylpyrrole-2,5-dione;ethenoxyethene.
Chemical Property Profile of 1-Butyl-1h-pyrrole-2,5-dione-(ethenyloxy)ethene(1:1)
Property Insights of 1-Butyl-1h-pyrrole-2,5-dione-(ethenyloxy)ethene(1:1)
The XLogP value of 2.0015 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-1h-pyrrole-2,5-dione-(ethenyloxy)ethene(1:1). With a topological polar surface area (TPSA) of 46.6 Ų, 1-Butyl-1h-pyrrole-2,5-dione-(ethenyloxy)ethene(1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyl-1h-pyrrole-2,5-dione-(ethenyloxy)ethene(1:1) has 0 hydrogen bond donor(s) and 3 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 1-Butyl-1h-pyrrole-2,5-dione-(ethenyloxy)ethene(1:1)?
The CAS number of 1-Butyl-1h-pyrrole-2,5-dione-(ethenyloxy)ethene(1:1) is 29706-75-0.
What is the molecular formula of 1-Butyl-1h-pyrrole-2,5-dione-(ethenyloxy)ethene(1:1)?
The molecular formula of 1-Butyl-1h-pyrrole-2,5-dione-(ethenyloxy)ethene(1:1) is C12H17NO3.
What is the molecular weight of 1-Butyl-1h-pyrrole-2,5-dione-(ethenyloxy)ethene(1:1)?
The molecular weight of 1-Butyl-1h-pyrrole-2,5-dione-(ethenyloxy)ethene(1:1) is 223.12 g/mol.
Where can I buy 1-Butyl-1h-pyrrole-2,5-dione-(ethenyloxy)ethene(1:1)?
You can request a quote for 1-Butyl-1h-pyrrole-2,5-dione-(ethenyloxy)ethene(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyl-1h-pyrrole-2,5-dione-(ethenyloxy)ethene(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-1h-pyrrole-2,5-dione-(ethenyloxy)ethene(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.