rac-ethyl (2R,4R)-4-ethylpyrrolidine-2-carboxylate
TL;DR: rac-ethyl (2R,4R)-4-ethylpyrrolidine-2-carboxylate (CAS 772320-65-7) is a chemical compound with molecular formula C9H17NO2 and molecular weight 171.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S,4S)-4-ethylpyrrolidine-2-carboxylate
Also Known As: L-Proline,4-ethyl-,ethylester,(4S)-, rac-ethyl (2R,4R)-4-ethylpyrrolidine-2-carboxylate, ethyl (2S,4S)-4-ethylpyrrolidine-2-carboxylate
| Molecular Formula | C9H17NO2 |
|---|---|
| Molecular Weight | 171.13 g/mol |
| LogP | 0.9376 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.12593 |
| Heavy Atoms | 12 |
| Complexity | 158.60753 |
Chemical Identifiers
| CAS Number | 772320-65-7 |
|---|---|
| SMILES | CC[C@H]1C[C@H](NC1)C(=O)OCC |
Product Overview
rac-ethyl (2R,4R)-4-ethylpyrrolidine-2-carboxylate (CAS 772320-65-7), with molecular formula C9H17NO2 and molecular weight 171.13 g/mol. IUPAC: ethyl (2S,4S)-4-ethylpyrrolidine-2-carboxylate.
Chemical Property Profile of rac-ethyl (2R,4R)-4-ethylpyrrolidine-2-carboxylate
Property Insights of rac-ethyl (2R,4R)-4-ethylpyrrolidine-2-carboxylate
The XLogP value of 0.9376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rac-ethyl (2R,4R)-4-ethylpyrrolidine-2-carboxylate. With a topological polar surface area (TPSA) of 38.33 Ų, rac-ethyl (2R,4R)-4-ethylpyrrolidine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rac-ethyl (2R,4R)-4-ethylpyrrolidine-2-carboxylate 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 rac-ethyl (2R,4R)-4-ethylpyrrolidine-2-carboxylate?
The CAS number of rac-ethyl (2R,4R)-4-ethylpyrrolidine-2-carboxylate is 772320-65-7.
What is the molecular formula of rac-ethyl (2R,4R)-4-ethylpyrrolidine-2-carboxylate?
The molecular formula of rac-ethyl (2R,4R)-4-ethylpyrrolidine-2-carboxylate is C9H17NO2.
What is the molecular weight of rac-ethyl (2R,4R)-4-ethylpyrrolidine-2-carboxylate?
The molecular weight of rac-ethyl (2R,4R)-4-ethylpyrrolidine-2-carboxylate is 171.13 g/mol.
Where can I buy rac-ethyl (2R,4R)-4-ethylpyrrolidine-2-carboxylate?
You can request a quote for rac-ethyl (2R,4R)-4-ethylpyrrolidine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rac-ethyl (2R,4R)-4-ethylpyrrolidine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for rac-ethyl (2R,4R)-4-ethylpyrrolidine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.