![1,2-Pyrrolidinedicarboxylic acid, 2-[(2-cyanophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)- structure](/static/products/121/1217811-41-0.png)
1,2-Pyrrolidinedicarboxylic acid, 2-[(2-cyanophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-
TL;DR: 1,2-Pyrrolidinedicarboxylic acid, 2-[(2-cyanophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)- (CAS 1217811-41-0) is a chemical compound with molecular formula C18H21N2O4- and molecular weight 329.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(2-cyanophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate
Also Known As: 1,2-Pyrrolidinedicarboxylic acid, 2-[(2-cyanophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-, (2S)-2-[(2-cyanophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate
| Molecular Formula | C18H21N2O4- |
|---|---|
| Molecular Weight | 329.15 g/mol |
| LogP | 1.62038 |
| Topological Polar Surface Area | 93.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.15015 |
| Heavy Atoms | 24 |
| Complexity | 686.99457 |
Chemical Identifiers
| CAS Number | 1217811-41-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC[C@]1(CC2=CC=CC=C2C#N)C(=O)[O-] |
Product Overview
1,2-Pyrrolidinedicarboxylic acid, 2-[(2-cyanophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)- (CAS 1217811-41-0), with molecular formula C18H21N2O4- and molecular weight 329.15 g/mol. IUPAC: (2S)-2-[(2-cyanophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate.
Chemical Property Profile of 1,2-Pyrrolidinedicarboxylic acid, 2-[(2-cyanophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-
Property Insights of 1,2-Pyrrolidinedicarboxylic acid, 2-[(2-cyanophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-
The XLogP value of 1.62038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Pyrrolidinedicarboxylic acid, 2-[(2-cyanophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-. The TPSA of 93.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Pyrrolidinedicarboxylic acid, 2-[(2-cyanophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-. Following Lipinski's Rule of Five, 1,2-Pyrrolidinedicarboxylic acid, 2-[(2-cyanophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)- has 0 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 1,2-Pyrrolidinedicarboxylic acid, 2-[(2-cyanophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-?
The CAS number of 1,2-Pyrrolidinedicarboxylic acid, 2-[(2-cyanophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)- is 1217811-41-0.
What is the molecular formula of 1,2-Pyrrolidinedicarboxylic acid, 2-[(2-cyanophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-?
The molecular formula of 1,2-Pyrrolidinedicarboxylic acid, 2-[(2-cyanophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)- is C18H21N2O4-.
What is the molecular weight of 1,2-Pyrrolidinedicarboxylic acid, 2-[(2-cyanophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-?
The molecular weight of 1,2-Pyrrolidinedicarboxylic acid, 2-[(2-cyanophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)- is 329.15 g/mol.
Where can I buy 1,2-Pyrrolidinedicarboxylic acid, 2-[(2-cyanophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-?
You can request a quote for 1,2-Pyrrolidinedicarboxylic acid, 2-[(2-cyanophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Pyrrolidinedicarboxylic acid, 2-[(2-cyanophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Pyrrolidinedicarboxylic acid, 2-[(2-cyanophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.