1-(1,1-Dimethylethyl) 4-phenyl-1,2-pyrrolidinedicarboxylate
TL;DR: 1-(1,1-Dimethylethyl) 4-phenyl-1,2-pyrrolidinedicarboxylate (CAS 103290-39-7) is a chemical compound with molecular formula C16H21NO4 and molecular weight 291.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid
Also Known As: 1-Boc-4-phenyl-DL-proline, Isoquinoline-5-boronic acid, 1-[(tert-butoxy)carbonyl]-4-phenylpyrrolidine-2-carboxylic acid, CIS-3-BENZYLOXYMETHYLCYCLOBUTANOL, 1-(tert-Butoxycarbonyl)-4-phenylproline
| Molecular Formula | C16H21NO4 |
|---|---|
| Molecular Weight | 291.15 g/mol |
| LogP | 2.8642 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.14706 |
| Heavy Atoms | 21 |
| Complexity | 520.82855 |
Chemical Identifiers
| CAS Number | 103290-39-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CC(CC1C(=O)O)C2=CC=CC=C2 |
Product Overview
1-(1,1-Dimethylethyl) 4-phenyl-1,2-pyrrolidinedicarboxylate (CAS 103290-39-7), with molecular formula C16H21NO4 and molecular weight 291.15 g/mol. IUPAC: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid.
Chemical Property Profile of 1-(1,1-Dimethylethyl) 4-phenyl-1,2-pyrrolidinedicarboxylate
Property Insights of 1-(1,1-Dimethylethyl) 4-phenyl-1,2-pyrrolidinedicarboxylate
The XLogP value of 2.8642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,1-Dimethylethyl) 4-phenyl-1,2-pyrrolidinedicarboxylate. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,1-Dimethylethyl) 4-phenyl-1,2-pyrrolidinedicarboxylate. Following Lipinski's Rule of Five, 1-(1,1-Dimethylethyl) 4-phenyl-1,2-pyrrolidinedicarboxylate 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 1-(1,1-Dimethylethyl) 4-phenyl-1,2-pyrrolidinedicarboxylate?
The CAS number of 1-(1,1-Dimethylethyl) 4-phenyl-1,2-pyrrolidinedicarboxylate is 103290-39-7.
What is the molecular formula of 1-(1,1-Dimethylethyl) 4-phenyl-1,2-pyrrolidinedicarboxylate?
The molecular formula of 1-(1,1-Dimethylethyl) 4-phenyl-1,2-pyrrolidinedicarboxylate is C16H21NO4.
What is the molecular weight of 1-(1,1-Dimethylethyl) 4-phenyl-1,2-pyrrolidinedicarboxylate?
The molecular weight of 1-(1,1-Dimethylethyl) 4-phenyl-1,2-pyrrolidinedicarboxylate is 291.15 g/mol.
Where can I buy 1-(1,1-Dimethylethyl) 4-phenyl-1,2-pyrrolidinedicarboxylate?
You can request a quote for 1-(1,1-Dimethylethyl) 4-phenyl-1,2-pyrrolidinedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,1-Dimethylethyl) 4-phenyl-1,2-pyrrolidinedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,1-Dimethylethyl) 4-phenyl-1,2-pyrrolidinedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.