RefChem:1072016
TL;DR: RefChem:1072016 (CAS 76834-44-1) is a chemical compound with molecular formula C15H14N4O3S and molecular weight 330.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one
Also Known As: 4H-Imidazol-4-one, 3,5-dihydro-5-((4-hydroxy-3-methoxyphenyl)methylene)-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-, 4H-IMIDAZOL-4-ONE, 3,5-DIHYDRO-5-((4-HYDROXY-3-METHOXYPHENYL)METHYLENE)-2-METHYL, (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one, RefChem:1072016
| Molecular Formula | C15H14N4O3S |
|---|---|
| Molecular Weight | 330.08 g/mol |
| LogP | 2.36682 |
| Topological Polar Surface Area | 87.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.07867 |
| Heavy Atoms | 23 |
| Complexity | 840.99756 |
Chemical Identifiers
| CAS Number | 76834-44-1 |
|---|---|
| SMILES | CC1=N/C(=C\C2=CC(=C(C=C2)O)OC)/C(=O)N1C3=NN=C(S3)C |
Product Overview
RefChem:1072016 (CAS 76834-44-1), with molecular formula C15H14N4O3S and molecular weight 330.08 g/mol. IUPAC: (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one.
Chemical Property Profile of RefChem:1072016
Property Insights of RefChem:1072016
The XLogP value of 2.36682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1072016. The TPSA of 87.91 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1072016. Following Lipinski's Rule of Five, RefChem:1072016 has 1 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:1072016?
The CAS number of RefChem:1072016 is 76834-44-1.
What is the molecular formula of RefChem:1072016?
The molecular formula of RefChem:1072016 is C15H14N4O3S.
What is the molecular weight of RefChem:1072016?
The molecular weight of RefChem:1072016 is 330.08 g/mol.
Where can I buy RefChem:1072016?
You can request a quote for RefChem:1072016 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1072016?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1072016 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.