(1R,3S)-rel-(3-Phenoxyphenyl)methyl 3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate
TL;DR: (1R,3S)-rel-(3-Phenoxyphenyl)methyl 3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate (CAS 68127-80-0) is a chemical compound with molecular formula C22H20ClF3O3 and molecular weight 424.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-(3-phenoxyphenyl)methyl (1S,3R)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: (1R,3S)-rel-(3-Phenoxyphenyl)methyl 3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate, Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, (1R,3S)-rel-, (3-phenoxyphenyl)methyl (1S,3R)-3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropane-1-carboxylate, (3-PHENOXYPHENYL)METHYL (1S,3R)-3-[(Z)-2-CHLORO-3,3,3-TRIFLUORO-PROP-1 -ENYL]-2,2-DIMETHYL-CYCLOPROPANE-1-CARBOXYLATE, 3-Phenoxybenzyl (1S,3R)-3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropanecarboxylate-rel-
| Molecular Formula | C22H20ClF3O3 |
|---|---|
| Molecular Weight | 424.11 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.10532 |
| Heavy Atoms | 29 |
| Complexity | 611.0 |
Chemical Identifiers
| CAS Number | 68127-80-0 |
|---|---|
| SMILES | CC1([C@H]([C@@H]1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(C(F)(F)F)Cl)C |
| InChIKey | RTRBHVOKZNZJDH-PKOBYXMFSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1R,3S)-rel-(3-Phenoxyphenyl)methyl 3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate (CAS 68127-80-0), with molecular formula C22H20ClF3O3 and molecular weight 424.11 g/mol. IUPAC: cis-(3-phenoxyphenyl)methyl (1S,3R)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of (1R,3S)-rel-(3-Phenoxyphenyl)methyl 3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate
Property Insights of (1R,3S)-rel-(3-Phenoxyphenyl)methyl 3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate
The XLogP value of 6.6 indicates that (1R,3S)-rel-(3-Phenoxyphenyl)methyl 3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, (1R,3S)-rel-(3-Phenoxyphenyl)methyl 3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,3S)-rel-(3-Phenoxyphenyl)methyl 3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1R,3S)-rel-(3-Phenoxyphenyl)methyl 3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate?
The CAS number of (1R,3S)-rel-(3-Phenoxyphenyl)methyl 3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate is 68127-80-0.
What is the molecular formula of (1R,3S)-rel-(3-Phenoxyphenyl)methyl 3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate?
The molecular formula of (1R,3S)-rel-(3-Phenoxyphenyl)methyl 3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate is C22H20ClF3O3.
What is the molecular weight of (1R,3S)-rel-(3-Phenoxyphenyl)methyl 3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate?
The molecular weight of (1R,3S)-rel-(3-Phenoxyphenyl)methyl 3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate is 424.11 g/mol.
Where can I buy (1R,3S)-rel-(3-Phenoxyphenyl)methyl 3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate?
You can request a quote for (1R,3S)-rel-(3-Phenoxyphenyl)methyl 3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,3S)-rel-(3-Phenoxyphenyl)methyl 3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (1R,3S)-rel-(3-Phenoxyphenyl)methyl 3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.