cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
TL;DR: cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate (CAS 32225-57-3) is a chemical compound with molecular formula C19H14N2O4 and molecular weight 334.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
Also Known As: cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate, Cyanomethyl (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoate
| Molecular Formula | C19H14N2O4 |
|---|---|
| Molecular Weight | 334.10 g/mol |
| LogP | 1.96068 |
| Topological Polar Surface Area | 87.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.09537 |
| Heavy Atoms | 25 |
| Complexity | 835.49286 |
Chemical Identifiers
| CAS Number | 32225-57-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)OCC#N)N2C(=O)C3=CC=CC=C3C2=O |
Product Overview
cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate (CAS 32225-57-3), with molecular formula C19H14N2O4 and molecular weight 334.10 g/mol. IUPAC: cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate.
Chemical Property Profile of cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
Property Insights of cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
The XLogP value of 1.96068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate. The TPSA of 87.47 Ų falls within the moderate polarity range, balancing permeability and solubility for cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate. Following Lipinski's Rule of Five, cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate 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 cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate?
The CAS number of cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate is 32225-57-3.
What is the molecular formula of cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate?
The molecular formula of cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate is C19H14N2O4.
What is the molecular weight of cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate?
The molecular weight of cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate is 334.10 g/mol.
Where can I buy cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate?
You can request a quote for cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.