Tiaramide N-oxide
TL;DR: Tiaramide N-oxide (CAS 54439-76-8) is a chemical compound with molecular formula C14H20ClN3O5S and molecular weight 377.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[4-(2-hydroxyethyl)-4-oxidopiperazin-4-ium-1-yl]sulfinyl-5-methyl-6-oxocyclohexa-2,4-diene-1-carboxamide
Also Known As: Tiaramide N-oxide, 3-chloro-N-[4-(2-hydroxyethyl)-4-oxidopiperazin-4-ium-1-yl]sulfinyl-5-methyl-6-oxocyclohexa-2,4-diene-1-carboxamide, 3-Chloro-N-[4-(2-hydroxyethyl)-4-oxo-4lambda~5~-piperazine-1-sulfinyl]-5-methyl-6-oxocyclohexa-2,4-diene-1-carboximidic acid
| Molecular Formula | C14H20ClN3O5S |
|---|---|
| Molecular Weight | 377.08 g/mol |
| LogP | -0.4283 |
| Topological Polar Surface Area | 109.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.0812 |
| Heavy Atoms | 24 |
| Complexity | 613.5312 |
Chemical Identifiers
| CAS Number | 54439-76-8 |
|---|---|
| SMILES | CC1=CC(=CC(C1=O)C(=O)NS(=O)N2CC[N+](CC2)(CCO)[O-])Cl |
Product Overview
Tiaramide N-oxide (CAS 54439-76-8), with molecular formula C14H20ClN3O5S and molecular weight 377.08 g/mol. IUPAC: 3-chloro-N-[4-(2-hydroxyethyl)-4-oxidopiperazin-4-ium-1-yl]sulfinyl-5-methyl-6-oxocyclohexa-2,4-diene-1-carboxamide.
Chemical Property Profile of Tiaramide N-oxide
Property Insights of Tiaramide N-oxide
The XLogP value of -0.4283 indicates that Tiaramide N-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Tiaramide N-oxide. Following Lipinski's Rule of Five, Tiaramide N-oxide has 2 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 Tiaramide N-oxide?
The CAS number of Tiaramide N-oxide is 54439-76-8.
What is the molecular formula of Tiaramide N-oxide?
The molecular formula of Tiaramide N-oxide is C14H20ClN3O5S.
What is the molecular weight of Tiaramide N-oxide?
The molecular weight of Tiaramide N-oxide is 377.08 g/mol.
Where can I buy Tiaramide N-oxide?
You can request a quote for Tiaramide N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tiaramide N-oxide?
Yes, KEHONG BIO provides custom synthesis services for Tiaramide N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.