N-Phthaloylglycine tert.-butyl ester
TL;DR: N-Phthaloylglycine tert.-butyl ester (CAS 6958-68-5) is a chemical compound with molecular formula C14H15NO4 and molecular weight 261.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-(1,3-dioxoisoindol-2-yl)acetate
Also Known As: PHT-GLY-OTBU, tert-Butyl 2-(1,3-dioxoisoindolin-2-yl)acetate, Phthaloyl-glycine tertbutyl ester, tert-butyl 2-(1,3-dioxoisoindol-2-yl)acetate, Phthaloyl-glycine tert-butyl ester
| Molecular Formula | C14H15NO4 |
|---|---|
| Molecular Weight | 261.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.1001 |
| Heavy Atoms | 19 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 6958-68-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CN1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | LAFNOENFXFPJKD-UHFFFAOYSA-N |
Product Overview
N-Phthaloylglycine tert.-butyl ester (CAS 6958-68-5), with molecular formula C14H15NO4 and molecular weight 261.10 g/mol. IUPAC: tert-butyl 2-(1,3-dioxoisoindol-2-yl)acetate.
Chemical Property Profile of N-Phthaloylglycine tert.-butyl ester
Property Insights of N-Phthaloylglycine tert.-butyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Phthaloylglycine tert.-butyl ester. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Phthaloylglycine tert.-butyl ester. Following Lipinski's Rule of Five, N-Phthaloylglycine tert.-butyl ester 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 N-Phthaloylglycine tert.-butyl ester?
The CAS number of N-Phthaloylglycine tert.-butyl ester is 6958-68-5.
What is the molecular formula of N-Phthaloylglycine tert.-butyl ester?
The molecular formula of N-Phthaloylglycine tert.-butyl ester is C14H15NO4.
What is the molecular weight of N-Phthaloylglycine tert.-butyl ester?
The molecular weight of N-Phthaloylglycine tert.-butyl ester is 261.10 g/mol.
Where can I buy N-Phthaloylglycine tert.-butyl ester?
You can request a quote for N-Phthaloylglycine tert.-butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Phthaloylglycine tert.-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-Phthaloylglycine tert.-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.