K2BY6MM4V8
TL;DR: K2BY6MM4V8 (CAS 71698-60-7) 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.
(3-phenoxyphenyl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: (3-phenoxyphenyl)methyl 2,2-dimethyl-3-(2-chloro-3,3,3-trifluoro-1-propenyl)cyclopropanecarboxylate, (3-Phenoxyphenyl)methyl 3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropanecarboxylate, 3-Phenoxybenzyl 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylate, Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester
| 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 | 71698-60-7 |
|---|---|
| SMILES | CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(C(F)(F)F)Cl)C |
| InChIKey | RTRBHVOKZNZJDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
K2BY6MM4V8 (CAS 71698-60-7), with molecular formula C22H20ClF3O3 and molecular weight 424.11 g/mol. IUPAC: (3-phenoxyphenyl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of K2BY6MM4V8
Property Insights of K2BY6MM4V8
The XLogP value of 6.6 indicates that K2BY6MM4V8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, K2BY6MM4V8 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, K2BY6MM4V8 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 K2BY6MM4V8?
The CAS number of K2BY6MM4V8 is 71698-60-7.
What is the molecular formula of K2BY6MM4V8?
The molecular formula of K2BY6MM4V8 is C22H20ClF3O3.
What is the molecular weight of K2BY6MM4V8?
The molecular weight of K2BY6MM4V8 is 424.11 g/mol.
Where can I buy K2BY6MM4V8?
You can request a quote for K2BY6MM4V8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for K2BY6MM4V8?
Yes, KEHONG BIO provides custom synthesis services for K2BY6MM4V8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.