Isopropyl 1H-pyrrol-2-ylacetate
TL;DR: Isopropyl 1H-pyrrol-2-ylacetate (CAS 157071-48-2) is a chemical compound with molecular formula C9H13NO2 and molecular weight 167.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl 2-(1H-pyrrol-2-yl)acetate
Also Known As: Isopropyl 1H-pyrrol-2-ylacetate, Propan-2-yl 2-(1H-pyrrol-2-yl)acetate, ISOPROPYLPHENYLGLYOXYLATE, 1H-Pyrrole-2-acetic acid, 1-methylethyl ester, (1H-Pyrrol-2-yl)-acetic acid isopropyl ester
Technical Specifications
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.09464 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 167.09464 Da |
| Heavy Atoms | 12 |
| Complexity | 157.0 |
| SMILES | CC(C)OC(=O)CC1=CC=CN1 |
| InChIKey | YDFWVTIOXQLWNF-UHFFFAOYSA-N |
Chemical Property Profile of Isopropyl 1H-pyrrol-2-ylacetate
Property Insights of Isopropyl 1H-pyrrol-2-ylacetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 1H-pyrrol-2-ylacetate. With a topological polar surface area (TPSA) of 42.1 Ų, Isopropyl 1H-pyrrol-2-ylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 1H-pyrrol-2-ylacetate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isopropyl 1H-pyrrol-2-ylacetate?
The CAS number of Isopropyl 1H-pyrrol-2-ylacetate is 157071-48-2.
What is the molecular formula of Isopropyl 1H-pyrrol-2-ylacetate?
The molecular formula of Isopropyl 1H-pyrrol-2-ylacetate is C9H13NO2.
What is the molecular weight of Isopropyl 1H-pyrrol-2-ylacetate?
The molecular weight of Isopropyl 1H-pyrrol-2-ylacetate is 167.09464 g/mol.
Where can I buy Isopropyl 1H-pyrrol-2-ylacetate?
You can request a quote for Isopropyl 1H-pyrrol-2-ylacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isopropyl 1H-pyrrol-2-ylacetate?
Yes, CoreyChem provides custom synthesis services for Isopropyl 1H-pyrrol-2-ylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.