ethyl 2-hydroxy-3-oxohexahydro-1H-pyrrolizine-1-carboxylate
TL;DR: ethyl 2-hydroxy-3-oxohexahydro-1H-pyrrolizine-1-carboxylate (CAS 21823-71-2) is a chemical compound with molecular formula C10H15NO4 and molecular weight 213.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-hydroxy-3-oxo-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate
Also Known As: 4-hydroxyphenyl propionitrile, ethyl 2-hydroxy-3-oxohexahydro-1H-pyrrolizine-1-carboxylate, ethyl 2-hydroxy-3-oxo-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate, 2-hydroxy-3-oxo-2,4,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylic acid ethyl ester, 1H-Pyrrolizine-1-carboxylicacid, hexahydro-2-hydroxy-3-oxo-, ethyl ester, (1R,2R,7aR)-rel-
| Molecular Formula | C10H15NO4 |
|---|---|
| Molecular Weight | 213.10 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.10011 |
| Heavy Atoms | 15 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 21823-71-2 |
|---|---|
| SMILES | CCOC(=O)C1C2CCCN2C(=O)C1O |
| InChIKey | OEORORSSMDNAII-UHFFFAOYSA-N |
Product Overview
ethyl 2-hydroxy-3-oxohexahydro-1H-pyrrolizine-1-carboxylate (CAS 21823-71-2), with molecular formula C10H15NO4 and molecular weight 213.10 g/mol. IUPAC: ethyl 2-hydroxy-3-oxo-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate.
Chemical Property Profile of ethyl 2-hydroxy-3-oxohexahydro-1H-pyrrolizine-1-carboxylate
Property Insights of ethyl 2-hydroxy-3-oxohexahydro-1H-pyrrolizine-1-carboxylate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-hydroxy-3-oxohexahydro-1H-pyrrolizine-1-carboxylate. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-hydroxy-3-oxohexahydro-1H-pyrrolizine-1-carboxylate. Following Lipinski's Rule of Five, ethyl 2-hydroxy-3-oxohexahydro-1H-pyrrolizine-1-carboxylate 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 ethyl 2-hydroxy-3-oxohexahydro-1H-pyrrolizine-1-carboxylate?
The CAS number of ethyl 2-hydroxy-3-oxohexahydro-1H-pyrrolizine-1-carboxylate is 21823-71-2.
What is the molecular formula of ethyl 2-hydroxy-3-oxohexahydro-1H-pyrrolizine-1-carboxylate?
The molecular formula of ethyl 2-hydroxy-3-oxohexahydro-1H-pyrrolizine-1-carboxylate is C10H15NO4.
What is the molecular weight of ethyl 2-hydroxy-3-oxohexahydro-1H-pyrrolizine-1-carboxylate?
The molecular weight of ethyl 2-hydroxy-3-oxohexahydro-1H-pyrrolizine-1-carboxylate is 213.10 g/mol.
Where can I buy ethyl 2-hydroxy-3-oxohexahydro-1H-pyrrolizine-1-carboxylate?
You can request a quote for ethyl 2-hydroxy-3-oxohexahydro-1H-pyrrolizine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-hydroxy-3-oxohexahydro-1H-pyrrolizine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-hydroxy-3-oxohexahydro-1H-pyrrolizine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.