1-Benzyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate
TL;DR: 1-Benzyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate (CAS 79433-95-7) is a chemical compound with molecular formula C14H17NO5 and molecular weight 279.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-benzyl 2-O-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate
Also Known As: Z-HYP-OMe, kifunensine, 1-benzyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate, N-Cbz-cis-4-Hydroxy-L-proline methyl ester, N-Cbz-L-4-Hydroxyproline methyl ester
| Molecular Formula | C14H17NO5 |
|---|---|
| Molecular Weight | 279.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.1107 |
| Heavy Atoms | 20 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 79433-95-7 |
|---|---|
| SMILES | COC(=O)C1CC(CN1C(=O)OCC2=CC=CC=C2)O |
| InChIKey | VVKAGQHUUDRPOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate (CAS 79433-95-7), with molecular formula C14H17NO5 and molecular weight 279.11 g/mol. IUPAC: 1-O-benzyl 2-O-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate.
Chemical Property Profile of 1-Benzyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate
Property Insights of 1-Benzyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate. Following Lipinski's Rule of Five, 1-Benzyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate has 1 hydrogen bond donor(s) and 5 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 1-Benzyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate?
The CAS number of 1-Benzyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate is 79433-95-7.
What is the molecular formula of 1-Benzyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate?
The molecular formula of 1-Benzyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate is C14H17NO5.
What is the molecular weight of 1-Benzyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate?
The molecular weight of 1-Benzyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate is 279.11 g/mol.
Where can I buy 1-Benzyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate?
You can request a quote for 1-Benzyl 2-methyl 4-hydroxypyrrolidine-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 1-Benzyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.