Naftoxate
TL;DR: Naftoxate (CAS 34435-50-2) is a chemical compound with molecular formula C19H14N2OS2 and molecular weight 350.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzoxazol-2-yl N-methyl-N-naphthalen-1-ylcarbamodithioate
Also Known As: Naftoxate, Naftoxato, Naftoxatum, Naftoxate [INN], k-f 224
| Molecular Formula | C19H14N2OS2 |
|---|---|
| Molecular Weight | 350.05 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.05475 |
| Heavy Atoms | 24 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 34435-50-2 |
|---|---|
| SMILES | CN(C1=CC=CC2=CC=CC=C21)C(=S)SC3=NC4=CC=CC=C4O3 |
| InChIKey | LJYUANIJQACDNJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Naftoxate (CAS 34435-50-2), with molecular formula C19H14N2OS2 and molecular weight 350.05 g/mol. IUPAC: 1,3-benzoxazol-2-yl N-methyl-N-naphthalen-1-ylcarbamodithioate.
Chemical Property Profile of Naftoxate
Property Insights of Naftoxate
The XLogP value of 5.8 indicates that Naftoxate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Naftoxate. Following Lipinski's Rule of Five, Naftoxate 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 Naftoxate?
The CAS number of Naftoxate is 34435-50-2.
What is the molecular formula of Naftoxate?
The molecular formula of Naftoxate is C19H14N2OS2.
What is the molecular weight of Naftoxate?
The molecular weight of Naftoxate is 350.05 g/mol.
Where can I buy Naftoxate?
You can request a quote for Naftoxate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naftoxate?
Yes, KEHONG BIO provides custom synthesis services for Naftoxate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.