(S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate
TL;DR: (S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate (CAS 5211-23-4) is a chemical compound with molecular formula C14H17NO4 and molecular weight 263.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-benzyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate
Also Known As: N-Z-L-proline methyl ester, (S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate, Cbz-Pro-OMe, N-Cbz-Pro-OMe, N-CARBOBENZYLOXY-L-PROLINE METHYL ESTER
| Molecular Formula | C14H17NO4 |
|---|---|
| Molecular Weight | 263.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.11575 |
| Heavy Atoms | 19 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 5211-23-4 |
|---|---|
| SMILES | COC(=O)[C@@H]1CCCN1C(=O)OCC2=CC=CC=C2 |
| InChIKey | BLQYEDXWEDWCNJ-LBPRGKRZSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate (CAS 5211-23-4), with molecular formula C14H17NO4 and molecular weight 263.12 g/mol. IUPAC: 1-O-benzyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate.
Chemical Property Profile of (S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate
Property Insights of (S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate. With a topological polar surface area (TPSA) of 55.8 Ų, (S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate 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 (S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate?
The CAS number of (S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate is 5211-23-4.
What is the molecular formula of (S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate?
The molecular formula of (S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate is C14H17NO4.
What is the molecular weight of (S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate?
The molecular weight of (S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate is 263.12 g/mol.
Where can I buy (S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate?
You can request a quote for (S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.