(3-Phenoxyphenyl)methyl 3-(3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate
TL;DR: (3-Phenoxyphenyl)methyl 3-(3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate (CAS 104576-63-8) is a chemical compound with molecular formula C23H27NO3 and molecular weight 365.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-(3-phenoxyphenyl)methyl (1R,3S)-3-[(2S)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: (3-Phenoxyphenyl)methyl 3-(3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate, (3-phenoxyphenyl)methyl (1R,3S)-3-[(2S)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate, Cyclopropanecarboxylic acid, 3-(3,3-dimethyl-2-aziridinyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, (1R-(1alpha,3beta(S*)))-
| Molecular Formula | C23H27NO3 |
|---|---|
| Molecular Weight | 365.20 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 365.1991 |
| Heavy Atoms | 27 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 104576-63-8 |
|---|---|
| SMILES | CC1([C@H]([C@H]1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)[C@H]4C(N4)(C)C)C |
| InChIKey | XSVHFDVKZZDSDL-AABGKKOBSA-N |
Product Overview
(3-Phenoxyphenyl)methyl 3-(3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate (CAS 104576-63-8), with molecular formula C23H27NO3 and molecular weight 365.20 g/mol. IUPAC: cis-(3-phenoxyphenyl)methyl (1R,3S)-3-[(2S)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of (3-Phenoxyphenyl)methyl 3-(3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate
Property Insights of (3-Phenoxyphenyl)methyl 3-(3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate
The XLogP value of 4.4 indicates that (3-Phenoxyphenyl)methyl 3-(3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, (3-Phenoxyphenyl)methyl 3-(3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Phenoxyphenyl)methyl 3-(3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate has 1 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 (3-Phenoxyphenyl)methyl 3-(3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate?
The CAS number of (3-Phenoxyphenyl)methyl 3-(3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate is 104576-63-8.
What is the molecular formula of (3-Phenoxyphenyl)methyl 3-(3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate?
The molecular formula of (3-Phenoxyphenyl)methyl 3-(3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate is C23H27NO3.
What is the molecular weight of (3-Phenoxyphenyl)methyl 3-(3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate?
The molecular weight of (3-Phenoxyphenyl)methyl 3-(3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate is 365.20 g/mol.
Where can I buy (3-Phenoxyphenyl)methyl 3-(3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate?
You can request a quote for (3-Phenoxyphenyl)methyl 3-(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 (3-Phenoxyphenyl)methyl 3-(3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (3-Phenoxyphenyl)methyl 3-(3,3-dimethylaziridin-2-yl)-2,2-dimethylcyclopropane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.