4-Nitrophenyl phthalimidoacetate
TL;DR: 4-Nitrophenyl phthalimidoacetate (CAS 21313-49-5) is a chemical compound with molecular formula C16H10N2O6 and molecular weight 326.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
Also Known As: Pht-Gly-Onp, 4-nitrophenyl phthalimidoacetate, CBChromo1_000031, Probes1_000167, Probes2_000342
| Molecular Formula | C16H10N2O6 |
|---|---|
| Molecular Weight | 326.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.0539 |
| Heavy Atoms | 24 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 21313-49-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)OC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | FSCDNNJLCIKUHL-UHFFFAOYSA-N |
Product Overview
4-Nitrophenyl phthalimidoacetate (CAS 21313-49-5), with molecular formula C16H10N2O6 and molecular weight 326.05 g/mol. IUPAC: (4-nitrophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate.
Chemical Property Profile of 4-Nitrophenyl phthalimidoacetate
Property Insights of 4-Nitrophenyl phthalimidoacetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenyl phthalimidoacetate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl phthalimidoacetate. Following Lipinski's Rule of Five, 4-Nitrophenyl phthalimidoacetate has 0 hydrogen bond donor(s) and 6 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 4-Nitrophenyl phthalimidoacetate?
The CAS number of 4-Nitrophenyl phthalimidoacetate is 21313-49-5.
What is the molecular formula of 4-Nitrophenyl phthalimidoacetate?
The molecular formula of 4-Nitrophenyl phthalimidoacetate is C16H10N2O6.
What is the molecular weight of 4-Nitrophenyl phthalimidoacetate?
The molecular weight of 4-Nitrophenyl phthalimidoacetate is 326.05 g/mol.
Where can I buy 4-Nitrophenyl phthalimidoacetate?
You can request a quote for 4-Nitrophenyl phthalimidoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl phthalimidoacetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl phthalimidoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.