Thiocyanic acid, 2,5-dibromo-4-(2-iodoacetamido)phenyl ester
TL;DR: Thiocyanic acid, 2,5-dibromo-4-(2-iodoacetamido)phenyl ester (CAS 14556-88-8) is a chemical compound with molecular formula C9H5Br2IN2OS and molecular weight 473.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,5-dibromo-4-[(2-iodoacetyl)amino]phenyl] thiocyanate
Also Known As: 2,5-Dibromo-4-(2-iodoacetamido)phenyl thiocyanate, Thiocyanic acid, 2,5-dibromo-4-(2-iodoacetamido)phenyl ester, [2,5-dibromo-4-[(2-iodoacetyl)amino]phenyl] thiocyanate, 2,5-Dibromo-4-(2-iodoacetylamino)phenyl thiocyanate, N-[2,5-dibromo-4-(cyanosulfanyl)phenyl]-2-iodoacetamide
| Molecular Formula | C9H5Br2IN2OS |
|---|---|
| Molecular Weight | 473.75 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 | 473.75342 |
| Heavy Atoms | 16 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 14556-88-8 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Br)SC#N)Br)NC(=O)CI |
| InChIKey | NFUGUEAPHPQLIB-UHFFFAOYSA-N |
Product Overview
Thiocyanic acid, 2,5-dibromo-4-(2-iodoacetamido)phenyl ester (CAS 14556-88-8), with molecular formula C9H5Br2IN2OS and molecular weight 473.75 g/mol. IUPAC: [2,5-dibromo-4-[(2-iodoacetyl)amino]phenyl] thiocyanate.
Chemical Property Profile of Thiocyanic acid, 2,5-dibromo-4-(2-iodoacetamido)phenyl ester
Property Insights of Thiocyanic acid, 2,5-dibromo-4-(2-iodoacetamido)phenyl ester
The XLogP value of 3.7 indicates that Thiocyanic acid, 2,5-dibromo-4-(2-iodoacetamido)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-dibromo-4-(2-iodoacetamido)phenyl ester. Following Lipinski's Rule of Five, Thiocyanic acid, 2,5-dibromo-4-(2-iodoacetamido)phenyl ester 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 Thiocyanic acid, 2,5-dibromo-4-(2-iodoacetamido)phenyl ester?
The CAS number of Thiocyanic acid, 2,5-dibromo-4-(2-iodoacetamido)phenyl ester is 14556-88-8.
What is the molecular formula of Thiocyanic acid, 2,5-dibromo-4-(2-iodoacetamido)phenyl ester?
The molecular formula of Thiocyanic acid, 2,5-dibromo-4-(2-iodoacetamido)phenyl ester is C9H5Br2IN2OS.
What is the molecular weight of Thiocyanic acid, 2,5-dibromo-4-(2-iodoacetamido)phenyl ester?
The molecular weight of Thiocyanic acid, 2,5-dibromo-4-(2-iodoacetamido)phenyl ester is 473.75 g/mol.
Where can I buy Thiocyanic acid, 2,5-dibromo-4-(2-iodoacetamido)phenyl ester?
You can request a quote for Thiocyanic acid, 2,5-dibromo-4-(2-iodoacetamido)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-dibromo-4-(2-iodoacetamido)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, 2,5-dibromo-4-(2-iodoacetamido)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.