RefChem:1084585
TL;DR: RefChem:1084585 (CAS 69463-94-1) is a chemical compound with molecular formula C15H18IN5O2S and molecular weight 459.02 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-methyl-1,3,4-thiadiazol-2-yl)azanium iodide
Also Known As: Ethanone, 2-((4,5-dihydro-1H-imidazol-2-yl)(5-methyl-1,3,4-thiadazol-2-yl)amino)-1-(4-methoxyphenyl)-, monohydriodide, 4,5-dihydro-1H-imidazol-2-yl-[2-(4-methoxyphenyl)-2-oxoethyl]-(5-methyl-1,3,4-thiadiazol-2-yl)azanium iodide, ETHANONE, 2-((4,5-DIHYDRO-1H-IMIDAZOL-2-YL)(5-METHYL-1,3,4-THIADAZOL-2-YL)AMINO), 4,5-dihydro-1H-imidazol-2-yl-[2-(4-methoxyphenyl)-2-oxoethyl]-(5-methyl-1,3,4-thiadiazol-2-yl)azanium;iodide, RefChem:1084585
| Molecular Formula | C15H18IN5O2S |
|---|---|
| Molecular Weight | 459.02 g/mol |
| LogP | -2.78 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.02258 |
| Heavy Atoms | 24 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 69463-94-1 |
|---|---|
| SMILES | CC1=NN=C(S1)[NH+](CC(=O)C2=CC=C(C=C2)OC)C3=NCCN3.[I-] |
| InChIKey | TWNYHGAAPQLPEO-UHFFFAOYSA-N |
Product Overview
RefChem:1084585 (CAS 69463-94-1), with molecular formula C15H18IN5O2S and molecular weight 459.02 g/mol. IUPAC: 4,5-dihydro-1H-imidazol-2-yl-[2-(4-methoxyphenyl)-2-oxoethyl]-(5-methyl-1,3,4-thiadiazol-2-yl)azanium iodide.
Chemical Property Profile of RefChem:1084585
Property Insights of RefChem:1084585
The XLogP value of -2.78 indicates that RefChem:1084585 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:1084585. Following Lipinski's Rule of Five, RefChem:1084585 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:1084585?
The CAS number of RefChem:1084585 is 69463-94-1.
What is the molecular formula of RefChem:1084585?
The molecular formula of RefChem:1084585 is C15H18IN5O2S.
What is the molecular weight of RefChem:1084585?
The molecular weight of RefChem:1084585 is 459.02 g/mol.
Where can I buy RefChem:1084585?
You can request a quote for RefChem:1084585 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084585?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084585 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.