5-Methoxy-5-oxo-3-(1H-pyrrol-1-yl)pentanoic acid
TL;DR: 5-Methoxy-5-oxo-3-(1H-pyrrol-1-yl)pentanoic acid (CAS 63547-58-0) is a chemical compound with molecular formula C10H13NO4 and molecular weight 211.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-5-oxo-3-pyrrol-1-ylpentanoic acid
Also Known As: MONO-METHYL 3-(1-PYRROLYL)GLUTARATE, 5-methoxy-5-oxo-3-pyrrol-1-ylpentanoic acid, 5-Methoxy-5-oxo-3-(1H-pyrrol-1-yl)pentanoic acid, 5-methoxy-5-oxo-3-pyrrol-1-yl-pentanoic Acid
| Molecular Formula | C10H13NO4 |
|---|---|
| Molecular Weight | 211.08 g/mol |
| LogP | 1.067 |
| Topological Polar Surface Area | 68.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 211.08446 |
| Heavy Atoms | 15 |
| Complexity | 331.20142 |
Chemical Identifiers
| CAS Number | 63547-58-0 |
|---|---|
| SMILES | COC(=O)CC(CC(=O)O)N1C=CC=C1 |
Product Overview
5-Methoxy-5-oxo-3-(1H-pyrrol-1-yl)pentanoic acid (CAS 63547-58-0), with molecular formula C10H13NO4 and molecular weight 211.08 g/mol. IUPAC: 5-methoxy-5-oxo-3-pyrrol-1-ylpentanoic acid.
Chemical Property Profile of 5-Methoxy-5-oxo-3-(1H-pyrrol-1-yl)pentanoic acid
Property Insights of 5-Methoxy-5-oxo-3-(1H-pyrrol-1-yl)pentanoic acid
The XLogP value of 1.067 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methoxy-5-oxo-3-(1H-pyrrol-1-yl)pentanoic acid. The TPSA of 68.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methoxy-5-oxo-3-(1H-pyrrol-1-yl)pentanoic acid. Following Lipinski's Rule of Five, 5-Methoxy-5-oxo-3-(1H-pyrrol-1-yl)pentanoic acid has 1 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 5-Methoxy-5-oxo-3-(1H-pyrrol-1-yl)pentanoic acid?
The CAS number of 5-Methoxy-5-oxo-3-(1H-pyrrol-1-yl)pentanoic acid is 63547-58-0.
What is the molecular formula of 5-Methoxy-5-oxo-3-(1H-pyrrol-1-yl)pentanoic acid?
The molecular formula of 5-Methoxy-5-oxo-3-(1H-pyrrol-1-yl)pentanoic acid is C10H13NO4.
What is the molecular weight of 5-Methoxy-5-oxo-3-(1H-pyrrol-1-yl)pentanoic acid?
The molecular weight of 5-Methoxy-5-oxo-3-(1H-pyrrol-1-yl)pentanoic acid is 211.08 g/mol.
Where can I buy 5-Methoxy-5-oxo-3-(1H-pyrrol-1-yl)pentanoic acid?
You can request a quote for 5-Methoxy-5-oxo-3-(1H-pyrrol-1-yl)pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methoxy-5-oxo-3-(1H-pyrrol-1-yl)pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Methoxy-5-oxo-3-(1H-pyrrol-1-yl)pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.