2'-Chloro-1-hydroxy-2-naphthanilide-4'-isothiocyanate
TL;DR: 2'-Chloro-1-hydroxy-2-naphthanilide-4'-isothiocyanate (CAS 67728-25-0) is a chemical compound with molecular formula C18H11ClN2O2S and molecular weight 354.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloro-4-isothiocyanatophenyl)-1-hydroxynaphthalene-2-carboxamide
Also Known As: Compound 75-98, 2'-Chloro-1-hydroxy-2-naphthanilide-4'-isothiocyanate, N-(2-Chloro-4-isothiocyanatophenyl)-1-hydroxy-2-naphthamide, N-(2-chloro-4-isothiocyanatophenyl)-1-hydroxynaphthalene-2-carboxamide, 2-Naphthalenecarboxamide, N-(2-chloro-4-isothiocyanatophenyl)-1-hydroxy-
| Molecular Formula | C18H11ClN2O2S |
|---|---|
| Molecular Weight | 354.02 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 93.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.02298 |
| Heavy Atoms | 24 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 67728-25-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=C2O)C(=O)NC3=C(C=C(C=C3)N=C=S)Cl |
| InChIKey | KCFHCMVMIBEPIJ-UHFFFAOYSA-N |
Product Overview
2'-Chloro-1-hydroxy-2-naphthanilide-4'-isothiocyanate (CAS 67728-25-0), with molecular formula C18H11ClN2O2S and molecular weight 354.02 g/mol. IUPAC: N-(2-chloro-4-isothiocyanatophenyl)-1-hydroxynaphthalene-2-carboxamide.
Chemical Property Profile of 2'-Chloro-1-hydroxy-2-naphthanilide-4'-isothiocyanate
Property Insights of 2'-Chloro-1-hydroxy-2-naphthanilide-4'-isothiocyanate
The XLogP value of 6.2 indicates that 2'-Chloro-1-hydroxy-2-naphthanilide-4'-isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Chloro-1-hydroxy-2-naphthanilide-4'-isothiocyanate. Following Lipinski's Rule of Five, 2'-Chloro-1-hydroxy-2-naphthanilide-4'-isothiocyanate has 2 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 2'-Chloro-1-hydroxy-2-naphthanilide-4'-isothiocyanate?
The CAS number of 2'-Chloro-1-hydroxy-2-naphthanilide-4'-isothiocyanate is 67728-25-0.
What is the molecular formula of 2'-Chloro-1-hydroxy-2-naphthanilide-4'-isothiocyanate?
The molecular formula of 2'-Chloro-1-hydroxy-2-naphthanilide-4'-isothiocyanate is C18H11ClN2O2S.
What is the molecular weight of 2'-Chloro-1-hydroxy-2-naphthanilide-4'-isothiocyanate?
The molecular weight of 2'-Chloro-1-hydroxy-2-naphthanilide-4'-isothiocyanate is 354.02 g/mol.
Where can I buy 2'-Chloro-1-hydroxy-2-naphthanilide-4'-isothiocyanate?
You can request a quote for 2'-Chloro-1-hydroxy-2-naphthanilide-4'-isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Chloro-1-hydroxy-2-naphthanilide-4'-isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2'-Chloro-1-hydroxy-2-naphthanilide-4'-isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.