![[(R)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate structure](/static/products/1045/104598-41-6.webp)
[(R)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate
TL;DR: [(R)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate (CAS 104598-41-6) is a chemical compound with molecular formula C32H29N3O5 and molecular weight 535.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-[(R)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: [(R)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate|(R)-Cyano(3-phenoxyphenyl)methyl (1R,3S)-3-[(2S)-1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate|Cyano(3-phenoxyphenyl)methyl 3-[1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate|Cyclopropanecarboxylic acid, 3-(1-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-3,3-dimethyl-2-aziridinyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, (1R-(1alpha(R*),3beta(S*)))-
| Molecular Formula | C32H29N3O5 |
|---|---|
| Molecular Weight | 535.21 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 99.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 535.2107 |
| Heavy Atoms | 40 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 104598-41-6 |
|---|---|
| SMILES | CC1([C@H]([C@H]1C(=O)O[C@@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)[C@H]4C(N4N5C(=O)C6=CC=CC=C6C5=O)(C)C)C |
| InChIKey | BSXVOCMJEKRKTH-JJGLZWCQSA-N |
Product Overview
[(R)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate (CAS 104598-41-6), with molecular formula C32H29N3O5 and molecular weight 535.21 g/mol. IUPAC: cis-[(R)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of [(R)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate
Property Insights of [(R)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate
The XLogP value of 5.7 indicates that [(R)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.7 Ų falls within the moderate polarity range, balancing permeability and solubility for [(R)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate. Following Lipinski's Rule of Five, [(R)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [(R)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate?
The CAS number of [(R)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate is 104598-41-6.
What is the molecular formula of [(R)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate?
The molecular formula of [(R)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate is C32H29N3O5.
What is the molecular weight of [(R)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate?
The molecular weight of [(R)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate is 535.21 g/mol.
Where can I buy [(R)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate?
You can request a quote for [(R)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(R)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [(R)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.