Thiocyanic acid, 2,5-dichloro-4-(2-fluoroacetamido)phenyl ester
TL;DR: Thiocyanic acid, 2,5-dichloro-4-(2-fluoroacetamido)phenyl ester (CAS 14556-83-3) is a chemical compound with molecular formula C9H5Cl2FN2OS and molecular weight 277.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,5-dichloro-4-[(2-fluoroacetyl)amino]phenyl] thiocyanate
Also Known As: 2,5-Dichloro-4-(2-fluoroacetamido)phenyl thiocyanate, Thiocyanic acid, 2,5-dichloro-4-(2-fluoroacetamido)phenyl ester, 2,5-Dichloro-4-(2-fluoroacetylamino)phenyl thiocyanate, [2,5-dichloro-4-[(2-fluoroacetyl)amino]phenyl] thiocyanate, N-[2,5-DICHLORO-4-(CYANOSULFANYL)PHENYL]-2-FLUOROACETAMIDE
| Molecular Formula | C9H5Cl2FN2OS |
|---|---|
| Molecular Weight | 277.95 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.94836 |
| Heavy Atoms | 16 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 14556-83-3 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)SC#N)Cl)NC(=O)CF |
| InChIKey | KLATZYDCMKUTCU-UHFFFAOYSA-N |
Product Overview
Thiocyanic acid, 2,5-dichloro-4-(2-fluoroacetamido)phenyl ester (CAS 14556-83-3), with molecular formula C9H5Cl2FN2OS and molecular weight 277.95 g/mol. IUPAC: [2,5-dichloro-4-[(2-fluoroacetyl)amino]phenyl] thiocyanate.
Chemical Property Profile of Thiocyanic acid, 2,5-dichloro-4-(2-fluoroacetamido)phenyl ester
Property Insights of Thiocyanic acid, 2,5-dichloro-4-(2-fluoroacetamido)phenyl ester
The XLogP value of 3.3 indicates that Thiocyanic acid, 2,5-dichloro-4-(2-fluoroacetamido)phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocyanic acid, 2,5-dichloro-4-(2-fluoroacetamido)phenyl ester. Following Lipinski's Rule of Five, Thiocyanic acid, 2,5-dichloro-4-(2-fluoroacetamido)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, 2,5-dichloro-4-(2-fluoroacetamido)phenyl ester?
The CAS number of Thiocyanic acid, 2,5-dichloro-4-(2-fluoroacetamido)phenyl ester is 14556-83-3.
What is the molecular formula of Thiocyanic acid, 2,5-dichloro-4-(2-fluoroacetamido)phenyl ester?
The molecular formula of Thiocyanic acid, 2,5-dichloro-4-(2-fluoroacetamido)phenyl ester is C9H5Cl2FN2OS.
What is the molecular weight of Thiocyanic acid, 2,5-dichloro-4-(2-fluoroacetamido)phenyl ester?
The molecular weight of Thiocyanic acid, 2,5-dichloro-4-(2-fluoroacetamido)phenyl ester is 277.95 g/mol.
Where can I buy Thiocyanic acid, 2,5-dichloro-4-(2-fluoroacetamido)phenyl ester?
You can request a quote for Thiocyanic acid, 2,5-dichloro-4-(2-fluoroacetamido)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, 2,5-dichloro-4-(2-fluoroacetamido)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, 2,5-dichloro-4-(2-fluoroacetamido)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.