RefChem:1072035
TL;DR: RefChem:1072035 (CAS 76834-48-5) is a chemical compound with molecular formula C15H14N4O2S and molecular weight 314.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(2-hydroxyphenyl)methylidene]-2-methylimidazol-4-one
Also Known As: 4H-Imidazole-4-one, 3-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dihydro-5-((2-hydroxyphenyl)methylene)-2-methyl-, (5Z)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(2-hydroxyphenyl)methylidene]-2-methyl-imidazol-4-one, (5Z)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(2-hydroxyphenyl)methylidene]-2-methylimidazol-4-one, RefChem:1072035
| Molecular Formula | C15H14N4O2S |
|---|---|
| Molecular Weight | 314.08 g/mol |
| LogP | 2.6122 |
| Topological Polar Surface Area | 78.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.08374 |
| Heavy Atoms | 22 |
| Complexity | 794.3451 |
Chemical Identifiers
| CAS Number | 76834-48-5 |
|---|---|
| SMILES | CCC1=NN=C(S1)N2C(=N/C(=C\C3=CC=CC=C3O)/C2=O)C |
Product Overview
RefChem:1072035 (CAS 76834-48-5), with molecular formula C15H14N4O2S and molecular weight 314.08 g/mol. IUPAC: (5Z)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(2-hydroxyphenyl)methylidene]-2-methylimidazol-4-one.
Chemical Property Profile of RefChem:1072035
Property Insights of RefChem:1072035
The XLogP value of 2.6122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1072035. The TPSA of 78.68 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1072035. Following Lipinski's Rule of Five, RefChem:1072035 has 1 hydrogen bond donor(s) and 6 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:1072035?
The CAS number of RefChem:1072035 is 76834-48-5.
What is the molecular formula of RefChem:1072035?
The molecular formula of RefChem:1072035 is C15H14N4O2S.
What is the molecular weight of RefChem:1072035?
The molecular weight of RefChem:1072035 is 314.08 g/mol.
Where can I buy RefChem:1072035?
You can request a quote for RefChem:1072035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1072035?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1072035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.