KADETHRIN
TL;DR: KADETHRIN (CAS 58769-20-3) is a chemical compound with molecular formula C23H24O4S and molecular weight 396.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-[(2-oxothiolan-3-ylidene)methyl]cyclopropane-1-carboxylate
Also Known As: KADETHRIN, Spray-tox, Kadethrin(e), Caswell No. 516AA, 1R,cis-RU 15525
| Molecular Formula | C23H24O4S |
|---|---|
| Molecular Weight | 396.14 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.13953 |
| Heavy Atoms | 28 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 58769-20-3 |
|---|---|
| SMILES | CC1(C(C1C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)C=C4CCSC4=O)C |
| InChIKey | UGWALRUNBSBTGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
KADETHRIN (CAS 58769-20-3), with molecular formula C23H24O4S and molecular weight 396.14 g/mol. IUPAC: (5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-[(2-oxothiolan-3-ylidene)methyl]cyclopropane-1-carboxylate.
Chemical Property Profile of KADETHRIN
Property Insights of KADETHRIN
The XLogP value of 5.4 indicates that KADETHRIN is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for KADETHRIN. Following Lipinski's Rule of Five, KADETHRIN has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KADETHRIN?
The CAS number of KADETHRIN is 58769-20-3.
What is the molecular formula of KADETHRIN?
The molecular formula of KADETHRIN is C23H24O4S.
What is the molecular weight of KADETHRIN?
The molecular weight of KADETHRIN is 396.14 g/mol.
Where can I buy KADETHRIN?
You can request a quote for KADETHRIN directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KADETHRIN?
Yes, KEHONG BIO provides custom synthesis services for KADETHRIN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.