HALOTHRIN
TL;DR: HALOTHRIN (CAS 74111-96-9) 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-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: HALOTHRIN, Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, (1alpha,3beta(E))-, (3-phenoxyphenyl)methyl (1S,3R)-3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
| Molecular Formula | C22H20ClF3O3 |
|---|---|
| Molecular Weight | 424.11 g/mol |
| LogP | 6.4793 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.10532 |
| Heavy Atoms | 29 |
| Complexity | 907.01855 |
Chemical Identifiers
| CAS Number | 74111-96-9 |
|---|---|
| SMILES | CC1([C@H]([C@@H]1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)/C=C(\C(F)(F)F)/Cl)C |
Product Overview
HALOTHRIN (CAS 74111-96-9), with molecular formula C22H20ClF3O3 and molecular weight 424.11 g/mol. IUPAC: cis-(3-phenoxyphenyl)methyl (1S,3R)-3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of HALOTHRIN
Property Insights of HALOTHRIN
The XLogP value of 6.4793 indicates that HALOTHRIN is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, HALOTHRIN exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, HALOTHRIN has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of HALOTHRIN?
The CAS number of HALOTHRIN is 74111-96-9.
What is the molecular formula of HALOTHRIN?
The molecular formula of HALOTHRIN is C22H20ClF3O3.
What is the molecular weight of HALOTHRIN?
The molecular weight of HALOTHRIN is 424.11 g/mol.
Where can I buy HALOTHRIN?
You can request a quote for HALOTHRIN directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for HALOTHRIN?
Yes, KEHONG BIO provides custom synthesis services for HALOTHRIN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.