Acetanilide, 2-bromo-2',5'-dichloro-4'-thiocyanato-
TL;DR: Acetanilide, 2-bromo-2',5'-dichloro-4'-thiocyanato- (CAS 14556-84-4) is a chemical compound with molecular formula C9H5BrCl2N2OS and molecular weight 337.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(2-bromoacetyl)amino]-2,5-dichlorophenyl] thiocyanate
Also Known As: Acetanilide, 2-bromo-2',5'-dichloro-4'-thiocyanato-, 2,5-Dichloro-4-thiocyanatophenylmonobromoacetamide, 2-Bromo-2',5'-dichloro-4'-thiocyanatoacetanilide, Thiocyanic acid, 4-(2-bromoacetamido)-2,5-dichlorophenyl ester, [4-[(2-bromoacetyl)amino]-2,5-dichlorophenyl] thiocyanate
| Molecular Formula | C9H5BrCl2N2OS |
|---|---|
| Molecular Weight | 337.87 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.8683 |
| Heavy Atoms | 16 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 14556-84-4 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)SC#N)Cl)NC(=O)CBr |
| InChIKey | HTBNJRXQYLKQJK-UHFFFAOYSA-N |
Product Overview
Acetanilide, 2-bromo-2',5'-dichloro-4'-thiocyanato- (CAS 14556-84-4), with molecular formula C9H5BrCl2N2OS and molecular weight 337.87 g/mol. IUPAC: [4-[(2-bromoacetyl)amino]-2,5-dichlorophenyl] thiocyanate.
Chemical Property Profile of Acetanilide, 2-bromo-2',5'-dichloro-4'-thiocyanato-
Property Insights of Acetanilide, 2-bromo-2',5'-dichloro-4'-thiocyanato-
The XLogP value of 3.7 indicates that Acetanilide, 2-bromo-2',5'-dichloro-4'-thiocyanato- 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 Acetanilide, 2-bromo-2',5'-dichloro-4'-thiocyanato-. Following Lipinski's Rule of Five, Acetanilide, 2-bromo-2',5'-dichloro-4'-thiocyanato- has 1 hydrogen bond donor(s) and 3 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 Acetanilide, 2-bromo-2',5'-dichloro-4'-thiocyanato-?
The CAS number of Acetanilide, 2-bromo-2',5'-dichloro-4'-thiocyanato- is 14556-84-4.
What is the molecular formula of Acetanilide, 2-bromo-2',5'-dichloro-4'-thiocyanato-?
The molecular formula of Acetanilide, 2-bromo-2',5'-dichloro-4'-thiocyanato- is C9H5BrCl2N2OS.
What is the molecular weight of Acetanilide, 2-bromo-2',5'-dichloro-4'-thiocyanato-?
The molecular weight of Acetanilide, 2-bromo-2',5'-dichloro-4'-thiocyanato- is 337.87 g/mol.
Where can I buy Acetanilide, 2-bromo-2',5'-dichloro-4'-thiocyanato-?
You can request a quote for Acetanilide, 2-bromo-2',5'-dichloro-4'-thiocyanato- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetanilide, 2-bromo-2',5'-dichloro-4'-thiocyanato-?
Yes, KEHONG BIO provides custom synthesis services for Acetanilide, 2-bromo-2',5'-dichloro-4'-thiocyanato- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.