2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-octanoic acid
TL;DR: 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-octanoic acid (CAS 57079-00-2) is a chemical compound with molecular formula C12H17NO4 and molecular weight 239.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2,5-dioxopyrrol-1-yl)octanoic acid
Also Known As: N-(Carboxyheptyl)maleimide, 8-(2,5-dioxopyrrol-1-yl)octanoic acid, 8-(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)octanoic acid, 4-(2,5-dioxopyrrol-1-yl)butanoic Acid, SID:318495308
| Molecular Formula | C12H17NO4 |
|---|---|
| Molecular Weight | 239.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 239.11575 |
| Heavy Atoms | 17 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 57079-00-2 |
|---|---|
| SMILES | C1=CC(=O)N(C1=O)CCCCCCCC(=O)O |
| InChIKey | QQBCAPJSHSNYLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-octanoic acid (CAS 57079-00-2), with molecular formula C12H17NO4 and molecular weight 239.12 g/mol. IUPAC: 8-(2,5-dioxopyrrol-1-yl)octanoic acid.
Chemical Property Profile of 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-octanoic acid
Property Insights of 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-octanoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-octanoic acid. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-octanoic acid. Following Lipinski's Rule of Five, 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-octanoic acid has 1 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 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-octanoic acid?
The CAS number of 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-octanoic acid is 57079-00-2.
What is the molecular formula of 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-octanoic acid?
The molecular formula of 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-octanoic acid is C12H17NO4.
What is the molecular weight of 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-octanoic acid?
The molecular weight of 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-octanoic acid is 239.12 g/mol.
Where can I buy 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-octanoic acid?
You can request a quote for 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-octanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-octanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-octanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.