1H-Pyrrole-2-butanoic acid, a,g-dioxo-1-(3-phenylpropyl)-
TL;DR: 1H-Pyrrole-2-butanoic acid, a,g-dioxo-1-(3-phenylpropyl)- (CAS 25313-31-9) is a chemical compound with molecular formula C17H17NO4 and molecular weight 299.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dioxo-4-[1-(3-phenylpropyl)pyrrol-2-yl]butanoic acid
Also Known As: L 731927, 1H-Pyrrole-2-butanoic acid, a,g-dioxo-1-(3-phenylpropyl)-, L-731,927, J1.286.344F, 2,4-dioxo-4-[1-(3-phenylpropyl)-1h-pyrrol-2-yl]butanoic acid
| Molecular Formula | C17H17NO4 |
|---|---|
| Molecular Weight | 299.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 299.11575 |
| Heavy Atoms | 22 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 25313-31-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCN2C=CC=C2C(=O)CC(=O)C(=O)O |
| InChIKey | AUTQBRLQSDCYSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Pyrrole-2-butanoic acid, a,g-dioxo-1-(3-phenylpropyl)- (CAS 25313-31-9), with molecular formula C17H17NO4 and molecular weight 299.12 g/mol. IUPAC: 2,4-dioxo-4-[1-(3-phenylpropyl)pyrrol-2-yl]butanoic acid.
Chemical Property Profile of 1H-Pyrrole-2-butanoic acid, a,g-dioxo-1-(3-phenylpropyl)-
Property Insights of 1H-Pyrrole-2-butanoic acid, a,g-dioxo-1-(3-phenylpropyl)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-2-butanoic acid, a,g-dioxo-1-(3-phenylpropyl)-. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-2-butanoic acid, a,g-dioxo-1-(3-phenylpropyl)-. Following Lipinski's Rule of Five, 1H-Pyrrole-2-butanoic acid, a,g-dioxo-1-(3-phenylpropyl)- 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 1H-Pyrrole-2-butanoic acid, a,g-dioxo-1-(3-phenylpropyl)-?
The CAS number of 1H-Pyrrole-2-butanoic acid, a,g-dioxo-1-(3-phenylpropyl)- is 25313-31-9.
What is the molecular formula of 1H-Pyrrole-2-butanoic acid, a,g-dioxo-1-(3-phenylpropyl)-?
The molecular formula of 1H-Pyrrole-2-butanoic acid, a,g-dioxo-1-(3-phenylpropyl)- is C17H17NO4.
What is the molecular weight of 1H-Pyrrole-2-butanoic acid, a,g-dioxo-1-(3-phenylpropyl)-?
The molecular weight of 1H-Pyrrole-2-butanoic acid, a,g-dioxo-1-(3-phenylpropyl)- is 299.12 g/mol.
Where can I buy 1H-Pyrrole-2-butanoic acid, a,g-dioxo-1-(3-phenylpropyl)-?
You can request a quote for 1H-Pyrrole-2-butanoic acid, a,g-dioxo-1-(3-phenylpropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-2-butanoic acid, a,g-dioxo-1-(3-phenylpropyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-2-butanoic acid, a,g-dioxo-1-(3-phenylpropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.