![Benzonitrile, 4-[[(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)imino]methyl]- structure](/static/products/1025/1025692-50-5.webp)
Benzonitrile, 4-[[(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)imino]methyl]-
TL;DR: Benzonitrile, 4-[[(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)imino]methyl]- (CAS 1025692-50-5) is a chemical compound with molecular formula C17H13N3O2 and molecular weight 291.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)iminomethyl]benzonitrile
Also Known As: Benzonitrile, 4-[[(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)imino]methyl]-, 4-{[(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}benzonitrile
| Molecular Formula | C17H13N3O2 |
|---|---|
| Molecular Weight | 291.10 g/mol |
| LogP | 1.69928 |
| Topological Polar Surface Area | 73.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.10077 |
| Heavy Atoms | 22 |
| Complexity | 727.1039 |
Chemical Identifiers
| CAS Number | 1025692-50-5 |
|---|---|
| SMILES | C1C2C=CC1C3C2C(=O)N(C3=O)N=CC4=CC=C(C=C4)C#N |
Product Overview
Benzonitrile, 4-[[(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)imino]methyl]- (CAS 1025692-50-5), with molecular formula C17H13N3O2 and molecular weight 291.10 g/mol. IUPAC: 4-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)iminomethyl]benzonitrile.
Chemical Property Profile of Benzonitrile, 4-[[(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)imino]methyl]-
Property Insights of Benzonitrile, 4-[[(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)imino]methyl]-
The XLogP value of 1.69928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 4-[[(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)imino]methyl]-. The TPSA of 73.53 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 4-[[(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)imino]methyl]-. Following Lipinski's Rule of Five, Benzonitrile, 4-[[(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)imino]methyl]- 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 Benzonitrile, 4-[[(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)imino]methyl]-?
The CAS number of Benzonitrile, 4-[[(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)imino]methyl]- is 1025692-50-5.
What is the molecular formula of Benzonitrile, 4-[[(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)imino]methyl]-?
The molecular formula of Benzonitrile, 4-[[(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)imino]methyl]- is C17H13N3O2.
What is the molecular weight of Benzonitrile, 4-[[(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)imino]methyl]-?
The molecular weight of Benzonitrile, 4-[[(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)imino]methyl]- is 291.10 g/mol.
Where can I buy Benzonitrile, 4-[[(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)imino]methyl]-?
You can request a quote for Benzonitrile, 4-[[(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)imino]methyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-[[(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)imino]methyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-[[(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)imino]methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.