Tralocythrin
TL;DR: Tralocythrin (CAS 77382-80-0) is a chemical compound with molecular formula C22H19Br2Cl2NO3 and molecular weight 572.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[cyano-(3-phenoxyphenyl)methyl] 3-(1,2-dibromo-2,2-dichloroethyl)-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: Tralocythrin, ROU-HR-475-V, HR-475V, AI3-29421, [cyano-(3-phenoxyphenyl)methyl] 3-(1,2-dibromo-2,2-dichloroethyl)-2,2-dimethylcyclopropane-1-carboxylate
| Molecular Formula | C22H19Br2Cl2NO3 |
|---|---|
| Molecular Weight | 572.91 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 572.9109 |
| Heavy Atoms | 30 |
| Complexity | 675.0 |
Chemical Identifiers
| CAS Number | 77382-80-0 |
|---|---|
| SMILES | CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C(C(Cl)(Cl)Br)Br)C |
| InChIKey | VQHJWDTTWVEXFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tralocythrin (CAS 77382-80-0), with molecular formula C22H19Br2Cl2NO3 and molecular weight 572.91 g/mol. IUPAC: [cyano-(3-phenoxyphenyl)methyl] 3-(1,2-dibromo-2,2-dichloroethyl)-2,2-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of Tralocythrin
Property Insights of Tralocythrin
The XLogP value of 7.2 indicates that Tralocythrin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, Tralocythrin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tralocythrin has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tralocythrin?
The CAS number of Tralocythrin is 77382-80-0.
What is the molecular formula of Tralocythrin?
The molecular formula of Tralocythrin is C22H19Br2Cl2NO3.
What is the molecular weight of Tralocythrin?
The molecular weight of Tralocythrin is 572.91 g/mol.
Where can I buy Tralocythrin?
You can request a quote for Tralocythrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tralocythrin?
Yes, KEHONG BIO provides custom synthesis services for Tralocythrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.