Thiocyanic acid, 2,5-dimethoxy-4-(2-iodoacetamido)phenyl ester
TL;DR: Thiocyanic acid, 2,5-dimethoxy-4-(2-iodoacetamido)phenyl ester (CAS 14556-93-5) is a chemical compound with molecular formula C11H11IN2O3S and molecular weight 377.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(2-iodoacetyl)amino]-2,5-dimethoxyphenyl] thiocyanate
Also Known As: 2,5-Dimethoxy-4-(2-iodoacetamido)phenyl thiocyanate, 2,5-Dimethoxy-4-(2-iodoacetylamino)phenyl thiocyanate, Thiocyanic acid, 2,5-dimethoxy-4-(2-iodoacetamido)phenyl ester, [4-[(2-iodoacetyl)amino]-2,5-dimethoxyphenyl] thiocyanate, N-[4-(cyanosulfanyl)-2,5-dimethoxyphenyl]-2-iodoacetamide
| Molecular Formula | C11H11IN2O3S |
|---|---|
| Molecular Weight | 377.95 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 96.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.95352 |
| Heavy Atoms | 18 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 14556-93-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1NC(=O)CI)OC)SC#N |
| InChIKey | YFLUORKLAPWOFK-UHFFFAOYSA-N |
Product Overview
Thiocyanic acid, 2,5-dimethoxy-4-(2-iodoacetamido)phenyl ester (CAS 14556-93-5), with molecular formula C11H11IN2O3S and molecular weight 377.95 g/mol. IUPAC: [4-[(2-iodoacetyl)amino]-2,5-dimethoxyphenyl] thiocyanate.
Chemical Property Profile of Thiocyanic acid, 2,5-dimethoxy-4-(2-iodoacetamido)phenyl ester
Property Insights of Thiocyanic acid, 2,5-dimethoxy-4-(2-iodoacetamido)phenyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocyanic acid, 2,5-dimethoxy-4-(2-iodoacetamido)phenyl ester. The TPSA of 96.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocyanic acid, 2,5-dimethoxy-4-(2-iodoacetamido)phenyl ester. Following Lipinski's Rule of Five, Thiocyanic acid, 2,5-dimethoxy-4-(2-iodoacetamido)phenyl ester has 1 hydrogen bond donor(s) and 5 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-dimethoxy-4-(2-iodoacetamido)phenyl ester?
The CAS number of Thiocyanic acid, 2,5-dimethoxy-4-(2-iodoacetamido)phenyl ester is 14556-93-5.
What is the molecular formula of Thiocyanic acid, 2,5-dimethoxy-4-(2-iodoacetamido)phenyl ester?
The molecular formula of Thiocyanic acid, 2,5-dimethoxy-4-(2-iodoacetamido)phenyl ester is C11H11IN2O3S.
What is the molecular weight of Thiocyanic acid, 2,5-dimethoxy-4-(2-iodoacetamido)phenyl ester?
The molecular weight of Thiocyanic acid, 2,5-dimethoxy-4-(2-iodoacetamido)phenyl ester is 377.95 g/mol.
Where can I buy Thiocyanic acid, 2,5-dimethoxy-4-(2-iodoacetamido)phenyl ester?
You can request a quote for Thiocyanic acid, 2,5-dimethoxy-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-dimethoxy-4-(2-iodoacetamido)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, 2,5-dimethoxy-4-(2-iodoacetamido)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.