methyl (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
TL;DR: methyl (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (CAS 133747-97-4) is a chemical compound with molecular formula C13H15NO4 and molecular weight 249.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
Also Known As: BAS 00447850, methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate, methyl (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
| Molecular Formula | C13H15NO4 |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 1.2211 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.10011 |
| Heavy Atoms | 18 |
| Complexity | 454.56396 |
Chemical Identifiers
| CAS Number | 133747-97-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)OC |
Product Overview
methyl (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (CAS 133747-97-4), with molecular formula C13H15NO4 and molecular weight 249.10 g/mol. IUPAC: methyl (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.
Chemical Property Profile of methyl (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
Property Insights of methyl (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
The XLogP value of 1.2211 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate. With a topological polar surface area (TPSA) of 55.84 Ų, methyl (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate has 0 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 methyl (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The CAS number of methyl (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is 133747-97-4.
What is the molecular formula of methyl (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The molecular formula of methyl (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is C13H15NO4.
What is the molecular weight of methyl (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The molecular weight of methyl (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is 249.10 g/mol.
Where can I buy methyl (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
You can request a quote for methyl (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-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)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.