RefChem:1084582
TL;DR: RefChem:1084582 (CAS 69463-97-4) is a chemical compound with molecular formula C17H22IN5O2S and molecular weight 487.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dihydro-1H-imidazol-2-yl-[2-(4-methoxyphenyl)-2-oxoethyl]-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)azanium iodide
Also Known As: Ethanone, 2-((4,5-dihydro-1H-imidazol-2-yl)(5-(1-methylethyl)-1,3,4-thiadiazol-2-yl)amino)-1-(4-methoxyphenyl)-, monohydriodide, 4,5-dihydro-1H-imidazol-2-yl-[2-(4-methoxyphenyl)-2-oxoethyl]-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)azanium iodide, 4,5-dihydro-1H-imidazol-2-yl-[2-(4-methoxyphenyl)-2-oxoethyl]-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)azanium;iodide, RefChem:1084582
| Molecular Formula | C17H22IN5O2S |
|---|---|
| Molecular Weight | 487.05 g/mol |
| LogP | -1.97 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.0539 |
| Heavy Atoms | 26 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 69463-97-4 |
|---|---|
| SMILES | CC(C)C1=NN=C(S1)[NH+](CC(=O)C2=CC=C(C=C2)OC)C3=NCCN3.[I-] |
| InChIKey | XAMQYYWWEGEIMH-UHFFFAOYSA-N |
Product Overview
RefChem:1084582 (CAS 69463-97-4), with molecular formula C17H22IN5O2S and molecular weight 487.05 g/mol. IUPAC: 4,5-dihydro-1H-imidazol-2-yl-[2-(4-methoxyphenyl)-2-oxoethyl]-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)azanium iodide.
Chemical Property Profile of RefChem:1084582
Property Insights of RefChem:1084582
The XLogP value of -1.97 indicates that RefChem:1084582 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1084582. Following Lipinski's Rule of Five, RefChem:1084582 has 2 hydrogen bond donor(s) and 7 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 RefChem:1084582?
The CAS number of RefChem:1084582 is 69463-97-4.
What is the molecular formula of RefChem:1084582?
The molecular formula of RefChem:1084582 is C17H22IN5O2S.
What is the molecular weight of RefChem:1084582?
The molecular weight of RefChem:1084582 is 487.05 g/mol.
Where can I buy RefChem:1084582?
You can request a quote for RefChem:1084582 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084582?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084582 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.