methyl (3S)-5-oxo-1-phenylpyrrolidine-3-carboxylate
TL;DR: methyl (3S)-5-oxo-1-phenylpyrrolidine-3-carboxylate (CAS 64320-92-9) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (3S)-5-oxo-1-phenylpyrrolidine-3-carboxylate
Also Known As: BAS 00447849, methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate, methyl (3S)-5-oxo-1-phenylpyrrolidine-3-carboxylate
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 64320-92-9 |
|---|---|
| SMILES | COC(=O)[C@H]1CC(=O)N(C1)C2=CC=CC=C2 |
| InChIKey | OIAHHVOKOCPNJP-VIFPVBQESA-N |
Product Overview
methyl (3S)-5-oxo-1-phenylpyrrolidine-3-carboxylate (CAS 64320-92-9), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: methyl (3S)-5-oxo-1-phenylpyrrolidine-3-carboxylate.
Chemical Property Profile of methyl (3S)-5-oxo-1-phenylpyrrolidine-3-carboxylate
Property Insights of methyl (3S)-5-oxo-1-phenylpyrrolidine-3-carboxylate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (3S)-5-oxo-1-phenylpyrrolidine-3-carboxylate. With a topological polar surface area (TPSA) of 46.6 Ų, methyl (3S)-5-oxo-1-phenylpyrrolidine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (3S)-5-oxo-1-phenylpyrrolidine-3-carboxylate has 0 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 methyl (3S)-5-oxo-1-phenylpyrrolidine-3-carboxylate?
The CAS number of methyl (3S)-5-oxo-1-phenylpyrrolidine-3-carboxylate is 64320-92-9.
What is the molecular formula of methyl (3S)-5-oxo-1-phenylpyrrolidine-3-carboxylate?
The molecular formula of methyl (3S)-5-oxo-1-phenylpyrrolidine-3-carboxylate is C12H13NO3.
What is the molecular weight of methyl (3S)-5-oxo-1-phenylpyrrolidine-3-carboxylate?
The molecular weight of methyl (3S)-5-oxo-1-phenylpyrrolidine-3-carboxylate is 219.09 g/mol.
Where can I buy methyl (3S)-5-oxo-1-phenylpyrrolidine-3-carboxylate?
You can request a quote for methyl (3S)-5-oxo-1-phenylpyrrolidine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (3S)-5-oxo-1-phenylpyrrolidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (3S)-5-oxo-1-phenylpyrrolidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.