N-(氰甲基)邻苯二甲酰亚胺
TL;DR: N-(氰甲基)邻苯二甲酰亚胺 (CAS 3842-20-4) is a chemical compound with molecular formula C10H6N2O2 and molecular weight 186.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(氰甲基)邻苯二甲酰亚胺
2-(1,3-dioxoisoindol-2-yl)acetonitrile
Also Known As: 2-(1,3-dioxoisoindolin-2-yl)acetonitrile, N-(cyanomethyl)phthalimide, (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetonitrile, phthalimidoacetonitrile, N-Cyanomethyl phthalimide
| Molecular Formula | C10H6N2O2 |
|---|---|
| Molecular Weight | 186.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 61.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.04292 |
| Heavy Atoms | 14 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 3842-20-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CC#N |
| InChIKey | KJTIDLYAIIARFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(氰甲基)邻苯二甲酰亚胺 (CAS 3842-20-4), with molecular formula C10H6N2O2 and molecular weight 186.04 g/mol. IUPAC: 2-(1,3-dioxoisoindol-2-yl)acetonitrile.
Chemical Property Profile of N-(氰甲基)邻苯二甲酰亚胺
Property Insights of N-(氰甲基)邻苯二甲酰亚胺
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(氰甲基)邻苯二甲酰亚胺. The TPSA of 61.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(氰甲基)邻苯二甲酰亚胺. Following Lipinski's Rule of Five, N-(氰甲基)邻苯二甲酰亚胺 has 0 hydrogen bond donor(s) and 3 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-(氰甲基)邻苯二甲酰亚胺?
The CAS number of N-(氰甲基)邻苯二甲酰亚胺 is 3842-20-4.
What is the molecular formula of N-(氰甲基)邻苯二甲酰亚胺?
The molecular formula of N-(氰甲基)邻苯二甲酰亚胺 is C10H6N2O2.
What is the molecular weight of N-(氰甲基)邻苯二甲酰亚胺?
The molecular weight of N-(氰甲基)邻苯二甲酰亚胺 is 186.04 g/mol.
Where can I buy N-(氰甲基)邻苯二甲酰亚胺?
You can request a quote for N-(氰甲基)邻苯二甲酰亚胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(氰甲基)邻苯二甲酰亚胺?
Yes, KEHONG BIO provides custom synthesis services for N-(氰甲基)邻苯二甲酰亚胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.