Thiocyanic acid, 4-amino-2-chloro-5-(p-iodophenoxy)phenyl ester
TL;DR: Thiocyanic acid, 4-amino-2-chloro-5-(p-iodophenoxy)phenyl ester (CAS 13997-32-5) is a chemical compound with molecular formula C13H8ClIN2OS and molecular weight 401.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-amino-2-chloro-5-(4-iodophenoxy)phenyl] thiocyanate
Also Known As: Thiocyanic acid, 4-amino-2-chloro-5-(p-iodophenoxy)phenyl ester, [4-amino-2-chloro-5-(4-iodophenoxy)phenyl] thiocyanate, 4-Amino-2-chloro-5-(4-iodophenoxy)phenyl thiocyanate, 5-chloro-2-(4-iodophenoxy)-4-thiocyanatoaniline, 4-Amino-2-chloro-5-(4-iodophenoxy)phenyl thiocyanate #
| Molecular Formula | C13H8ClIN2OS |
|---|---|
| Molecular Weight | 401.91 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 84.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.90906 |
| Heavy Atoms | 19 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 13997-32-5 |
|---|---|
| SMILES | C1=CC(=CC=C1OC2=CC(=C(C=C2N)Cl)SC#N)I |
| InChIKey | SHMXEVFLBSTREN-UHFFFAOYSA-N |
Product Overview
Thiocyanic acid, 4-amino-2-chloro-5-(p-iodophenoxy)phenyl ester (CAS 13997-32-5), with molecular formula C13H8ClIN2OS and molecular weight 401.91 g/mol. IUPAC: [4-amino-2-chloro-5-(4-iodophenoxy)phenyl] thiocyanate.
Chemical Property Profile of Thiocyanic acid, 4-amino-2-chloro-5-(p-iodophenoxy)phenyl ester
Property Insights of Thiocyanic acid, 4-amino-2-chloro-5-(p-iodophenoxy)phenyl ester
The XLogP value of 4.6 indicates that Thiocyanic acid, 4-amino-2-chloro-5-(p-iodophenoxy)phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocyanic acid, 4-amino-2-chloro-5-(p-iodophenoxy)phenyl ester. Following Lipinski's Rule of Five, Thiocyanic acid, 4-amino-2-chloro-5-(p-iodophenoxy)phenyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thiocyanic acid, 4-amino-2-chloro-5-(p-iodophenoxy)phenyl ester?
The CAS number of Thiocyanic acid, 4-amino-2-chloro-5-(p-iodophenoxy)phenyl ester is 13997-32-5.
What is the molecular formula of Thiocyanic acid, 4-amino-2-chloro-5-(p-iodophenoxy)phenyl ester?
The molecular formula of Thiocyanic acid, 4-amino-2-chloro-5-(p-iodophenoxy)phenyl ester is C13H8ClIN2OS.
What is the molecular weight of Thiocyanic acid, 4-amino-2-chloro-5-(p-iodophenoxy)phenyl ester?
The molecular weight of Thiocyanic acid, 4-amino-2-chloro-5-(p-iodophenoxy)phenyl ester is 401.91 g/mol.
Where can I buy Thiocyanic acid, 4-amino-2-chloro-5-(p-iodophenoxy)phenyl ester?
You can request a quote for Thiocyanic acid, 4-amino-2-chloro-5-(p-iodophenoxy)phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocyanic acid, 4-amino-2-chloro-5-(p-iodophenoxy)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, 4-amino-2-chloro-5-(p-iodophenoxy)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.