Cyano(3-phenoxyphenyl)methyl 3-(1-amino-3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate
TL;DR: Cyano(3-phenoxyphenyl)methyl 3-(1-amino-3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate (CAS 104576-65-0) is a chemical compound with molecular formula C24H27N3O3 and molecular weight 405.21 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-amino-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: Cyano(3-phenoxyphenyl)methyl 3-(1-amino-3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate, (R)-Cyano(3-phenoxyphenyl)methyl (1R,3S)-3-[(2S)-1-amino-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate, [(R)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-[(2S)-1-amino-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate, Cyclopropanecarboxylic acid, 3-(1-amino-3,3-dimethyl-2-aziridinyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, (1R-(1alpha(R*),3beta(S*)))-
| Molecular Formula | C24H27N3O3 |
|---|---|
| Molecular Weight | 405.21 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.20523 |
| Heavy Atoms | 30 |
| Complexity | 706.0 |
Chemical Identifiers
| CAS Number | 104576-65-0 |
|---|---|
| SMILES | CC1([C@H]([C@H]1C(=O)O[C@@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)[C@H]4C(N4N)(C)C)C |
| InChIKey | CCIMWDYDZFOMKM-FXOLAUCDSA-N |
Product Overview
Cyano(3-phenoxyphenyl)methyl 3-(1-amino-3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate (CAS 104576-65-0), with molecular formula C24H27N3O3 and molecular weight 405.21 g/mol. IUPAC: cis-[(R)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-[(2S)-1-amino-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of Cyano(3-phenoxyphenyl)methyl 3-(1-amino-3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate
Property Insights of Cyano(3-phenoxyphenyl)methyl 3-(1-amino-3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate
The XLogP value of 4.1 indicates that Cyano(3-phenoxyphenyl)methyl 3-(1-amino-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 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyano(3-phenoxyphenyl)methyl 3-(1-amino-3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate. Following Lipinski's Rule of Five, Cyano(3-phenoxyphenyl)methyl 3-(1-amino-3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate has 1 hydrogen bond donor(s) and 6 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 Cyano(3-phenoxyphenyl)methyl 3-(1-amino-3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate?
The CAS number of Cyano(3-phenoxyphenyl)methyl 3-(1-amino-3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate is 104576-65-0.
What is the molecular formula of Cyano(3-phenoxyphenyl)methyl 3-(1-amino-3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate?
The molecular formula of Cyano(3-phenoxyphenyl)methyl 3-(1-amino-3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate is C24H27N3O3.
What is the molecular weight of Cyano(3-phenoxyphenyl)methyl 3-(1-amino-3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate?
The molecular weight of Cyano(3-phenoxyphenyl)methyl 3-(1-amino-3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate is 405.21 g/mol.
Where can I buy Cyano(3-phenoxyphenyl)methyl 3-(1-amino-3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate?
You can request a quote for Cyano(3-phenoxyphenyl)methyl 3-(1-amino-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 Cyano(3-phenoxyphenyl)methyl 3-(1-amino-3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Cyano(3-phenoxyphenyl)methyl 3-(1-amino-3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.