3-Methyl-1-octyl-pyrrole-2,5-dione
TL;DR: 3-Methyl-1-octyl-pyrrole-2,5-dione (CAS 100522-72-3) is a chemical compound with molecular formula C13H21NO2 and molecular weight 223.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-octylpyrrole-2,5-dione
Also Known As: N-octylcitraconimide, N-Octyl-2-methylmaleimide, 3-methyl-1-octyl-pyrrole-2,5-dione, 3-methyl-1-octylpyrrole-2,5-dione, 3-Methyl-1-octyl-3-pyrroline-2,5-dione
| Molecular Formula | C13H21NO2 |
|---|---|
| Molecular Weight | 223.16 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 223.15723 |
| Heavy Atoms | 16 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 100522-72-3 |
|---|---|
| SMILES | CCCCCCCCN1C(=O)C=C(C1=O)C |
| InChIKey | XTTYBLAYWFJZSH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-1-octyl-pyrrole-2,5-dione (CAS 100522-72-3), with molecular formula C13H21NO2 and molecular weight 223.16 g/mol. IUPAC: 3-methyl-1-octylpyrrole-2,5-dione.
Chemical Property Profile of 3-Methyl-1-octyl-pyrrole-2,5-dione
Property Insights of 3-Methyl-1-octyl-pyrrole-2,5-dione
The XLogP value of 3.9 indicates that 3-Methyl-1-octyl-pyrrole-2,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, 3-Methyl-1-octyl-pyrrole-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1-octyl-pyrrole-2,5-dione 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 3-Methyl-1-octyl-pyrrole-2,5-dione?
The CAS number of 3-Methyl-1-octyl-pyrrole-2,5-dione is 100522-72-3.
What is the molecular formula of 3-Methyl-1-octyl-pyrrole-2,5-dione?
The molecular formula of 3-Methyl-1-octyl-pyrrole-2,5-dione is C13H21NO2.
What is the molecular weight of 3-Methyl-1-octyl-pyrrole-2,5-dione?
The molecular weight of 3-Methyl-1-octyl-pyrrole-2,5-dione is 223.16 g/mol.
Where can I buy 3-Methyl-1-octyl-pyrrole-2,5-dione?
You can request a quote for 3-Methyl-1-octyl-pyrrole-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1-octyl-pyrrole-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-octyl-pyrrole-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.