RefChem:1071977
TL;DR: RefChem:1071977 (CAS 100037-25-0) is a chemical compound with molecular formula C20H16N4O2S and molecular weight 376.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(2-methoxyphenyl)methylidene]-2-methyl-3-(5-phenyl-1,3,4-thiadiazol-2-yl)imidazol-4-one
Also Known As: 4H-Imidazol-4-one, 3,5-dihydro-5-((2-methoxyphenyl)methylene)-2-methyl-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-, (5Z)-5-[(2-methoxyphenyl)methylidene]-2-methyl-3-(5-phenyl-1,3,4-thiadiazol-2-yl)imidazol-4-one, RefChem:1071977
| Molecular Formula | C20H16N4O2S |
|---|---|
| Molecular Weight | 376.10 g/mol |
| LogP | 4.0198 |
| Topological Polar Surface Area | 67.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.0994 |
| Heavy Atoms | 27 |
| Complexity | 1056.6084 |
Chemical Identifiers
| CAS Number | 100037-25-0 |
|---|---|
| SMILES | CC1=N/C(=C\C2=CC=CC=C2OC)/C(=O)N1C3=NN=C(S3)C4=CC=CC=C4 |
Product Overview
RefChem:1071977 (CAS 100037-25-0), with molecular formula C20H16N4O2S and molecular weight 376.10 g/mol. IUPAC: (5Z)-5-[(2-methoxyphenyl)methylidene]-2-methyl-3-(5-phenyl-1,3,4-thiadiazol-2-yl)imidazol-4-one.
Chemical Property Profile of RefChem:1071977
Property Insights of RefChem:1071977
The XLogP value of 4.0198 indicates that RefChem:1071977 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.68 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1071977. Following Lipinski's Rule of Five, RefChem:1071977 has 0 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:1071977?
The CAS number of RefChem:1071977 is 100037-25-0.
What is the molecular formula of RefChem:1071977?
The molecular formula of RefChem:1071977 is C20H16N4O2S.
What is the molecular weight of RefChem:1071977?
The molecular weight of RefChem:1071977 is 376.10 g/mol.
Where can I buy RefChem:1071977?
You can request a quote for RefChem:1071977 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071977?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071977 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.