Cyanomethyl 3-(1,3-dioxoisoindol-2-yl)propanoate
TL;DR: Cyanomethyl 3-(1,3-dioxoisoindol-2-yl)propanoate (CAS 5632-30-4) is a chemical compound with molecular formula C13H10N2O4 and molecular weight 258.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyanomethyl 3-(1,3-dioxoisoindol-2-yl)propanoate
Also Known As: Cyanomethyl 3-(1,3-dioxoisoindol-2-yl)propanoate, 2,2':5',2'':5'',2'''-Quaterthiophene, Cyanomethyl 3-(1,3-dioxoisoindolin-2-yl)propanoate, Cyanomethyl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
| Molecular Formula | C13H10N2O4 |
|---|---|
| Molecular Weight | 258.06 g/mol |
| LogP | 0.73948 |
| Topological Polar Surface Area | 87.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.06406 |
| Heavy Atoms | 19 |
| Complexity | 553.55115 |
Chemical Identifiers
| CAS Number | 5632-30-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)OCC#N |
Product Overview
Cyanomethyl 3-(1,3-dioxoisoindol-2-yl)propanoate (CAS 5632-30-4), with molecular formula C13H10N2O4 and molecular weight 258.06 g/mol. IUPAC: cyanomethyl 3-(1,3-dioxoisoindol-2-yl)propanoate.
Chemical Property Profile of Cyanomethyl 3-(1,3-dioxoisoindol-2-yl)propanoate
Property Insights of Cyanomethyl 3-(1,3-dioxoisoindol-2-yl)propanoate
The XLogP value of 0.73948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyanomethyl 3-(1,3-dioxoisoindol-2-yl)propanoate. The TPSA of 87.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyanomethyl 3-(1,3-dioxoisoindol-2-yl)propanoate. Following Lipinski's Rule of Five, Cyanomethyl 3-(1,3-dioxoisoindol-2-yl)propanoate 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 3-(1,3-dioxoisoindol-2-yl)propanoate?
The CAS number of Cyanomethyl 3-(1,3-dioxoisoindol-2-yl)propanoate is 5632-30-4.
What is the molecular formula of Cyanomethyl 3-(1,3-dioxoisoindol-2-yl)propanoate?
The molecular formula of Cyanomethyl 3-(1,3-dioxoisoindol-2-yl)propanoate is C13H10N2O4.
What is the molecular weight of Cyanomethyl 3-(1,3-dioxoisoindol-2-yl)propanoate?
The molecular weight of Cyanomethyl 3-(1,3-dioxoisoindol-2-yl)propanoate is 258.06 g/mol.
Where can I buy Cyanomethyl 3-(1,3-dioxoisoindol-2-yl)propanoate?
You can request a quote for Cyanomethyl 3-(1,3-dioxoisoindol-2-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanomethyl 3-(1,3-dioxoisoindol-2-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Cyanomethyl 3-(1,3-dioxoisoindol-2-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.