Phthalyl-allysine-4-nitrobenzyl ester
TL;DR: Phthalyl-allysine-4-nitrobenzyl ester (CAS 1211450-51-9) is a chemical compound with molecular formula C21H18N2O7 and molecular weight 410.1114 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-nitrophenyl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-6-oxohexanoate
Also Known As: PH-All-nbe, Phthalyl-allysine-4-nitrobenzyl ester, 3-PYRAZOL-1-YLMETHYL-PIPERIDINE, (4-nitrophenyl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-6-oxohexanoate, 4-(((methoxycarbonyl)amino)methyl)cyclohexanecarboxylic acid
Technical Specifications
| Molecular Formula | C21H18N2O7 |
| Molecular Weight | 410.1114 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 410.1114 Da |
| Heavy Atoms | 30 |
| Complexity | 657.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)[C@@H](CCCC=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | ZGQURRYRRUOFFU-SFHVURJKSA-N |
Chemical Property Profile of Phthalyl-allysine-4-nitrobenzyl ester
Property Insights of Phthalyl-allysine-4-nitrobenzyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phthalyl-allysine-4-nitrobenzyl ester. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phthalyl-allysine-4-nitrobenzyl ester. Following Lipinski's Rule of Five, Phthalyl-allysine-4-nitrobenzyl ester has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phthalyl-allysine-4-nitrobenzyl ester?
The CAS number of Phthalyl-allysine-4-nitrobenzyl ester is 1211450-51-9.
What is the molecular formula of Phthalyl-allysine-4-nitrobenzyl ester?
The molecular formula of Phthalyl-allysine-4-nitrobenzyl ester is C21H18N2O7.
What is the molecular weight of Phthalyl-allysine-4-nitrobenzyl ester?
The molecular weight of Phthalyl-allysine-4-nitrobenzyl ester is 410.1114 g/mol.
Where can I buy Phthalyl-allysine-4-nitrobenzyl ester?
You can request a quote for Phthalyl-allysine-4-nitrobenzyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phthalyl-allysine-4-nitrobenzyl ester?
Yes, CoreyChem provides custom synthesis services for Phthalyl-allysine-4-nitrobenzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.